SCHEMBL9894865

SCHEMBL9894865

O=C(O)c1ccc(S)c(C(=O)O)c1C(=O)O.O=CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 1/20 0.38
TSHR P16473 3/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 1/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
DCLRE1B Q9H816 2/20 0.32
DCLRE1A Q6PJP8 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FOLH1 Q04609 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31

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
SCHEMBL29445717 0.76 CYP1A2 (0.61) MAPTHDAC8CYP1A2TSHRCASP1
SCHEMBL22989 0.76 CYP1A2 (0.61) MAPTHDAC8CYP1A2TSHRCASP1
SCHEMBL1988762 0.76 CYP1A2 (0.61) MAPTHDAC8CYP1A2TSHRCASP1
SCHEMBL9895528 0.76 POLB (0.42) CYP1A2TSHRCASP1SMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL5023112 0.73 CYP1A2 (0.58) MAPTHDAC8CYP1A2TSHRCASP1
SCHEMBL5550251 0.73 CYP1A2 (0.58) MAPTHDAC8CYP1A2TSHRCASP1
Hydrochloric Acid SCHEMBL10351177 0.73 CYP1A2 (0.58) MAPTHDAC8CYP1A2TSHRCASP1
SCHEMBL8879805 0.73 CYP1A2 (0.58) MAPTHDAC8CYP1A2TSHRCASP1
Hydrochloric Acid SCHEMBL18124413 0.73 CYP1A2 (0.58) MAPTHDAC8CYP1A2TSHRCASP1
Mellitic Acid SCHEMBL2426221 0.73 CYP1A2 (0.58) MAPTHDAC8CYP1A2TSHRCASP1

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