SCHEMBL9895528

SCHEMBL9895528

O=C(O)c1ccc(SSc2ccc(C(=O)O)c(C(=O)O)c2C(=O)O)c(C(=O)O)c1C(=O)O.O=CCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.33
ERN1 O75460 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSMD14 O00487 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA4 P22748 1/20 0.31
CDC25A P30304 1/20 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
SCHEMBL9894865 0.76 MAPT (0.41) CYP1A2TSHRERN1CASP1SMN1; SMN2
SCHEMBL22989 0.74 CYP1A2 (0.61) POLBCYP1A2TSHRCASP1SMN1; SMN2
SCHEMBL29445717 0.74 CYP1A2 (0.61) POLBCYP1A2TSHRCASP1SMN1; SMN2
SCHEMBL1988762 0.74 CYP1A2 (0.61) POLBCYP1A2TSHRCASP1SMN1; SMN2
SCHEMBL9315242 0.73 HSD17B10 (0.65) POLBCYP1A2PSMD14KDM4EALDH1A1
SCHEMBL9315199 0.72 POLB (0.65) POLBCYP1A2TSHRSMN1; SMN2PSMD14
SCHEMBL5550251 0.72 CYP1A2 (0.58) POLBCYP1A2TSHRCASP1SMN1; SMN2
Hydrochloric Acid SCHEMBL18124413 0.72 CYP1A2 (0.58) POLBCYP1A2TSHRCASP1SMN1; SMN2
SCHEMBL8879805 0.72 CYP1A2 (0.58) POLBCYP1A2TSHRCASP1SMN1; SMN2
Mellitic Acid SCHEMBL2426221 0.72 CYP1A2 (0.58) POLBCYP1A2TSHRCASP1SMN1; SMN2

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