SCHEMBL8322153

SCHEMBL8322153

Cc1ccc(C=S)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
TDP1 Q9NUW8 3/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 5/20 0.44
ALOX15 P16050 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 5/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
ALOX12 P18054 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SELL P14151 1/20 0.39

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
SCHEMBL6094262 0.82 MAPT (0.53) TRPA1TDP1TP53MAPTALOX15
SCHEMBL10190857 0.81 TRPA1 (0.56) TRPA1TDP1TP53MAPTALOX15
SCHEMBL685610 0.77 TRPA1 (0.52) TRPA1TDP1TP53MAPTALOX15
SCHEMBL28223614 0.77 TYR (0.57) TRPA1TDP1TP53MAPTALOX15
SCHEMBL225766 0.77 TYR (0.57) TRPA1TDP1TP53MAPTALOX15
SCHEMBL12806430 0.77 TRPA1 (0.52) TRPA1TDP1TP53MAPTALOX15
SCHEMBL29953108 0.77 TYR (0.57) TRPA1TDP1TP53MAPTALOX15
SCHEMBL10912117 0.76 TYR (0.52) TDP1MAPTALDH1A1MEN1GAA
SCHEMBL2949202 0.76 AMY1A (0.44) TDP1TP53MAPTKDM4ELMNA
SCHEMBL10604117 0.76 TRPA1 (0.50) TRPA1TDP1TP53MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed