SCHEMBL6572591

SCHEMBL6572591

C=CCc1c(N)ccc(O)c1CC=C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.45
IMPDH2 P12268 1/20 0.45
XDH P47989 1/20 0.44
GABRA1 P14867 5/20 0.42
GABRB2 P47870 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
KMT2A Q03164 2/20 0.42
AKR1B1 P15121 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH2 P05091 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 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
SCHEMBL323547 0.87 XDH (0.54) SRD5A1XDHGABRA1GABRB2ALDH1A1
SCHEMBL845635 0.87 IMPDH2 (0.53) SRD5A1IMPDH2XDHGABRA1GABRB2
SCHEMBL2494238 0.86 SRD5A1 (0.44) SRD5A1IMPDH2XDHGABRA1GABRB2
Hydrogen Sulfide SCHEMBL6721312 0.84 XDH (0.52) SRD5A1XDHGABRA1GABRB2ALDH1A1
SCHEMBL89099 0.82 TSHR (0.43) SRD5A1IMPDH2XDHGABRA1GABRB2
SCHEMBL11126244 0.81 SRD5A1 (0.46) SRD5A1IMPDH2XDHGABRA1GABRB2
SCHEMBL5333323 0.80 IMPDH2 (0.49) SRD5A1IMPDH2XDHGABRA1GABRB2
SCHEMBL6013229 0.80 GABRA1 (0.52) SRD5A1XDHGABRA1GABRB2ALDH1A1
SCHEMBL10557741 0.80 SRD5A1 (0.40) SRD5A1IMPDH2XDHGABRA1GABRB2
Hydrochloric Acid SCHEMBL10885430 0.78 IMPDH2 (0.47) IMPDH2GABRA1GABRB2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920854-B1 Hair dye compositions containing 2,3 dialkyl-4-aminophenol and a 2-alkyl-1-naphthol. P & G CLAIROL INC (US) 2004-05-12 EP disclosed
EP-0920854-B1 Hair dye compositions containing 2,3 dialkyl-4-aminophenol and a 2-alkyl-1-naphthol. P & G CLAIROL INC (US) 2004-05-12 EP disclosed
EP-0920854-A1 Hair dye compositions containing 2,3 dialkyl-4-aminophenol and A2-alkyl-1-naphthol. Bristol-Myers Squibb Company (US) 1999-06-09 EP disclosed
EP-0920854-A1 Hair dye compositions containing 2,3 dialkyl-4-aminophenol and A2-alkyl-1-naphthol. Bristol-Myers Squibb Company (US) 1999-06-09 EP disclosed
US-5849042-A Hair dye compositions containing 2,3 dialkyl-4-aminophenol and a 2-alkyl-1-naphthol BRISTOL-MYERS SQUIBB (US) 1998-12-15 US disclosed
US-5849042-A Hair dye compositions containing 2,3 dialkyl-4-aminophenol and a 2-alkyl-1-naphthol BRISTOL-MYERS SQUIBB (US) 1998-12-15 US disclosed
US-3903160-A Aroylamido bis- and tris-(alkylphenols) CIBA GEIGY CORP 1975-09-02 US disclosed