SCHEMBL193327

SCHEMBL193327

CC(C)CC(P)(CC(C)C)CC(C)C.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.40
CA2 P00918 4/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7034952 0.90 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL3417979 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL11259640 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL11610411 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL27152735 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
Isobutanol SCHEMBL28032479 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL3419220 0.80 GAA (0.59) ALDH1A1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL10771841 0.79 CYP2D6 (0.49) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL6963869 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL3415128 0.78 CA1 (0.44) ALDH1A1MEN1KMT2ACYP2D6CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11567385-B2 Electrochromic device THE BOEING COMPANY (US) 2023-01-31 US claimed
EP-3753973-B1 A METHOD FOR SEALING A GAP BETWEEN ADJOINING OR CONNECTED SOLID SURFACES ON AN AIRCRAFT BOEING CO (US) 2022-09-28 EP claimed
US-20220171247-A1 ELECTROCHROMIC DEVICE THE BOEING COMPANY 2022-06-02 US claimed
US-11307476-B2 Electrochromic device THE BOEING COMPANY (US) 2022-04-19 US claimed
US-11292853-B2 Methods and compositions for curing a surface of an uncured polysulfide rubber THE BOEING COMPANY (US) 2022-04-05 US claimed
US-11278222-B2 Waterless electrochemical transdermal alcohol sensor and wearable transdermal alcohol sensor device 1A SMART START LLC (US) 2022-03-22 US claimed
EP-3753973-A1 A METHOD FOR SEALING A GAP BETWEEN ADJOINING OR CONNECTED SOLID SURFACES ON AN AIRCRAFT The Boeing Company (US) 2020-12-23 EP claimed
EP-3431528-B1 METHODS AND COMPOSITIONS FOR CURING A SURFACE OF AN UNCURED POLYSULFIDE RUBBER BOEING CO (US) 2020-09-02 EP claimed
US-20200190226-A1 METHODS AND COMPOSITIONS FOR CURING A SURFACE OF AN UNCURED POLYSULFIDE RUBBER THE BOEING COMPANY 2020-06-18 US claimed
US-10597468-B2 Methods and compositions for curing a surface of an uncured polysulfide rubber THE BOEING COMPANY (US) 2020-03-24 US claimed
US-8912351-B2 Process for removing metals from tallow oil UOP LLC (US) 2014-12-16 US claimed
US-20140274962-A1 METHODS OF INHIBITING PRESBYOPIA UNIVERSITY OF MASSACHUSETTS (US) 2014-09-18 US claimed
US-8758802-B2 Methods of inhibiting cataracts and presbyopia UNIVERSITY OF MASSACHUSETTS (US) 2014-06-24 US claimed
WO-2014003943-A1 DECONTAMINATION OF DEOXYGENATED BIOMASS-DERIVED PYROLYSIS OIL USING IONIC LIQUIDS UOP LLC (US) 2014-01-03 WO claimed
US-20140005451-A1 DECONTAMINATION OF DEOXYGENATED BIOMASS-DERIVED PYROLYSIS OIL USING IONIC LIQUIDS UOP LLC (US) 2014-01-02 US claimed
WO-2013133595-A1 HYBRID SUPPORTED METALLOCENE CATALYST, METHOD FOR PREPARING THE SAME, AND PROCESS FOR PREPARING POLYOLEFIN USING THE SAME SK INNOVATION CO., LTD. (KR) 2013-09-12 WO claimed
US-20130158279-A1 PROCESS FOR REMOVING METALS FROM TALLOW OIL UOP LLC (US) 2013-06-20 US claimed
WO-2013089852-A1 PROCESS FOR REMOVING METALS FROM TALLOW OIL UOP LLC (US) 2013-06-20 WO claimed
WO-2011056286-A2 ADSORPTION SEPARATION PROCESSES FOR IONIC LIQUID CATALYTIC PROCESSES BATTELLE MEMORIAL INSTITUTE (US) 2011-05-12 WO claimed
US-20110105770-A1 ADSORPTION SEPARATION PROCESSES FOR IONIC LIQUID CATALYTIC PROCESSES BATTELLE MEMORIAL INSTITUTE 2011-05-05 US claimed