SCHEMBL9023735

SCHEMBL9023735

Cc1cc(OCCO)c(N)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
ESR1 P03372 5/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
CASP1 P29466 2/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.34
PDE10A Q9Y233 1/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
Hydrochloric Acid SCHEMBL9023948 0.98 KDM4E (0.38) IDO1ESR1KDM4EALDH1A1MAPT
SCHEMBL16935930 0.86 GAA (0.33) IDO1ESR1KDM4EALDH1A1MAPT
SCHEMBL455549 0.85 ALDH1A1 (0.41) KDM4EALDH1A1MAPTCASP1MEN1
SCHEMBL29353325 0.85 ALDH1A1 (0.41) KDM4EALDH1A1MAPTCASP1MEN1
Hydrochloric Acid SCHEMBL10361244 0.84 ALDH1A1 (0.40) KDM4EALDH1A1MAPTCASP1MEN1
Hydrochloric Acid SCHEMBL3333887 0.84 ALDH1A1 (0.40) KDM4EALDH1A1MAPTCASP1MEN1
SCHEMBL453061 0.81 ALDH1A1 (0.48) ESR1KDM4EALDH1A1MAPTCASP1
SCHEMBL12000686 0.81 LOX (0.40) IDO1KDM4EALDH1A1MAPTCASP1
SCHEMBL13753698 0.80 PRSS1 (0.42) IDO1KDM4EALDH1A1MAPTCASP1
Hydrochloric Acid SCHEMBL9023543 0.80 MAPT (0.47) ESR1KDM4EALDH1A1MAPTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485544-B1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 1996-10-16 EP claimed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US claimed
EP-0485544-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES. WELLA AG (DE) 1992-05-20 EP claimed
WO-1991018583-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1991-12-12 WO claimed
JP-4247018-A None JP disclosed
EP-0485544-B1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 1996-10-16 EP disclosed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
JP-H04247018-A KERATIN FIBER DYE COMPOSITION KAO CORP 1992-09-03 JP disclosed
EP-0485544-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES. WELLA AG (DE) 1992-05-20 EP disclosed
WO-1991018583-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1991-12-12 WO disclosed