SCHEMBL7516301

SCHEMBL7516301

C=CC(O)c1cc(N)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PRKCI P41743 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37
HSPD1 P10809 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL6684924 0.82 THRB (0.34) CASP1ALOX15HSD17B10ALDH1A1CYP3A4
SCHEMBL7865964 0.82 THRB (0.34) CASP1ALOX15HSD17B10ALDH1A1CYP3A4
SCHEMBL17774719 0.81 CA1 (0.41) CA1CA2PDE10APRKCIKDM4E
SCHEMBL18826532 0.77 CA1 (0.48) CA1CA2PDE10APRKCIKDM4E
SCHEMBL16619563 0.77 CA3 (0.39) TRPA1ESR2XDH
SCHEMBL11874166 0.77 XDH (0.33) KDM4EHSD17B10CYP3A4TDP1RECQL
SCHEMBL3194749 0.74 PDE10A (0.50) CA1CA2PDE10APRKCIKDM4E
SCHEMBL17774757 0.73 PRKCI (0.39) CA1CA2PDE10APRKCIKDM4E
Hydrochloric Acid SCHEMBL11201276 0.72 CA1 (0.43) CA1CA2PDE10APRKCIKDM4E
SCHEMBL2739345 0.71 PDE10A (0.52) CA1CA2PDE10APRKCIKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182187-A1 Oxidative dyestuff compositions for dyeing the hair, consisting of 4-amino-2-hydroxyalkyl phenols Wella Aktiengesellschaft (DE) 1986-05-28 EP claimed
WO-1986002829-A1 OXIDATION-TYPE HAIR-DYEING MEANS BASED ON 4-AMINO-2-HYDROXYALKYL-PHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1986-05-22 WO claimed
EP-1006104-B1 P-aminophenol substitute and its use in oxidation dye formulations CLAIROL INC (US) 2002-09-25 EP disclosed
EP-1006104-A1 P-aminophenol substitute and its use in oxidation dye formulations Bristol-Myers Squibb Company (US) 2000-06-07 EP disclosed
US-5980584-A NONTOXIC; REPLACEMENT FOR P-AMINOPHENOL IN OXIDATIVE HAIR DYE SYSTEMS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 US disclosed
EP-0359618-B1 2-SUBSTITUTED PARA-AMINOPHENOLS AND THEIR USE IN THE COLORATION OF KERATINIC FIBRES L'OREAL (FR) 1993-03-17 EP disclosed
EP-0182187-A1 Oxidative dyestuff compositions for dyeing the hair, consisting of 4-amino-2-hydroxyalkyl phenols Wella Aktiengesellschaft (DE) 1986-05-28 EP disclosed
EP-0182187-A1 Oxidative dyestuff compositions for dyeing the hair, consisting of 4-amino-2-hydroxyalkyl phenols Wella Aktiengesellschaft (DE) 1986-05-28 EP disclosed
WO-1986002829-A1 OXIDATION-TYPE HAIR-DYEING MEANS BASED ON 4-AMINO-2-HYDROXYALKYL-PHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1986-05-22 WO disclosed
WO-1986002829-A1 OXIDATION-TYPE HAIR-DYEING MEANS BASED ON 4-AMINO-2-HYDROXYALKYL-PHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1986-05-22 WO disclosed