SCHEMBL9897059

SCHEMBL9897059

CC(=O)OC(=O)c1cccc(C(=O)OC(C)=O)c1S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 6/20 0.37
TDP1 Q9NUW8 2/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BLM P54132 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 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
SCHEMBL2778 0.82 TSHR (0.52) ITGB1ITGA5ALDH1A1HSD17B10KDM4E
SCHEMBL30084385 0.82 TSHR (0.52) ITGB1ITGA5ALDH1A1HSD17B10KDM4E
SCHEMBL7325258 0.82 MAPT (0.52) ITGB1ITGA5ALDH1A1HSD17B10KDM4E
Acetone SCHEMBL29281281 0.80 TSHR (0.50) ITGB1ITGA5ALDH1A1HSD17B10KDM4E
SCHEMBL27931437 0.80 TSHR (0.50) ITGB1ITGA5ALDH1A1HSD17B10KDM4E
SCHEMBL28206063 0.80 TSHR (0.50) ITGB1ITGA5ALDH1A1HSD17B10KDM4E
SCHEMBL6383298 0.80 TSHR (0.50) ITGB1ITGA5ALDH1A1HSD17B10KDM4E
SCHEMBL1896602 0.80 TSHR (0.50) ITGB1ITGA5ALDH1A1HSD17B10KDM4E
SCHEMBL9895330 0.79 MAPT (0.34) ALDH1A1HSD17B10KDM4ETSHRTDP1
SCHEMBL30401364 0.79 ITGB1 (0.38) ITGB1ITGA5ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907020-B2 Golf ball SRI SPORTS LIMITED (JP) 2014-12-09 US claimed
US-8907020-B2 Golf ball SRI SPORTS LIMITED (JP) 2014-12-09 US disclosed
US-20120149496-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed