SCHEMBL3408586

SCHEMBL3408586

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

nearest known ligand 0.43

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
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 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
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SNCA P37840 1/20 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
SCHEMBL5372948 0.83 ALDH1A1 (0.44) CYP1A2CYP2C19CYP2D6CYP3A4ALOX15
SCHEMBL1275171 0.82 SNCA (0.47) CYP1A2CYP2C19CYP2D6CYP3A4ALOX15
Butanol SCHEMBL7695797 0.82 ALDH1A1 (0.46) CYP1A2CYP2C19CYP2D6CYP3A4ALOX15
Butanol SCHEMBL7695800 0.82 ALDH1A1 (0.46) CYP1A2CYP2C19CYP2D6CYP3A4ALOX15
Isopropyl Alcohol SCHEMBL143707 0.82 GAA (0.52) CYP1A2CYP2C19CYP2D6CYP3A4ALOX15
SCHEMBL11027526 0.82 GAA (0.52) CYP1A2CYP2C19CYP2D6CYP3A4ALOX15
SCHEMBL8462068 0.82 GAA (0.52) CYP1A2CYP2C19CYP2D6CYP3A4ALOX15
SCHEMBL593976 0.80 ALDH1A1 (0.47) CYP1A2CYP2C19CYP2D6CYP3A4ALDH1A1
SCHEMBL8178505 0.80 ALDH1A1 (0.47) CYP1A2CYP2C19CYP2D6CYP3A4ALOX15
SCHEMBL28110139 0.80 CA2 (0.42) CYP1A2CYP2C19CYP2D6CYP3A4ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8422202-B2 Capacitor and method for manufacturing the same SHIN-ETSU POLYMER CO., LTD. (JP) 2013-04-16 US disclosed
US-20110051323-A1 CAPACITOR AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU POLYMER CO., LTD. (JP) 2011-03-03 US disclosed
US-20100182734-A1 CAPACITOR AND PRODUCTION METHOD THEREOF SHIN-ETSU POLYMER CO., LTD. (JP) 2010-07-22 US disclosed