Alcohol

Alcohol

SCHEMBL15465987

CC(O)Nc1ccccc1.CCO

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Alcohol. 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
TDP1 Q9NUW8 3/20 0.54
CYP3A4 P08684 4/20 0.47
ALOX15 P16050 4/20 0.47
TSHR P16473 4/20 0.47
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX12 P18054 3/20 0.47
LMNA P02545 3/20 0.47
THRB P10828 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
HIF1A Q16665 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CASP1 P29466 1/20 0.41
GAA P10253 3/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL42138 0.91 TDP1 (0.64) TDP1CYP3A4ALOX15TSHRHSD17B10
Hydrochloric Acid SCHEMBL7930921 0.89 TDP1 (0.61) TDP1CYP3A4ALOX15TSHRHSD17B10
Water SCHEMBL11613455 0.89 TDP1 (0.61) TDP1CYP3A4ALOX15TSHRHSD17B10
Hydrochloric Acid SCHEMBL6328090 0.86 TDP1 (0.58) TDP1CYP3A4ALOX15TSHRHSD17B10
Sulfuric Acid SCHEMBL10588282 0.81 ALDH1A1 (0.55) TDP1CYP3A4ALOX15TSHRHSD17B10
Lactic Acid SCHEMBL11230703 0.79 TDP1 (0.50) TDP1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL17104285 0.77 TDP1 (0.58) TDP1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL28172850 0.77 TDP1 (0.58) TDP1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL14515472 0.77 TDP1 (0.58) TDP1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL4167974 0.77 TDP1 (0.46) TDP1CYP3A4ALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9293711-B2 Organic semiconductor formulations POLYERA CORPORATION (US) 2016-03-22 US claimed
US-20140042369-A1 Organic Semiconductor Formulations USINVEST LLC 2014-02-13 US claimed
US-10043978-B2 Organic semiconductor formulations FLEXTERRA, INC. (US) 2018-08-07 US disclosed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US disclosed
US-9293711-B2 Organic semiconductor formulations POLYERA CORPORATION (US) 2016-03-22 US disclosed
US-20140042369-A1 Organic Semiconductor Formulations USINVEST LLC 2014-02-13 US disclosed