SCHEMBL9895331

SCHEMBL9895331

O=C(O)c1cccc(C(=O)O)c1S.O=CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.47
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL2162181 0.89 MAPT (0.61) MAPTHDAC8ALDH1A1ALOX15TSHR
SCHEMBL4007741 0.78 TSHR (0.63) MAPTHDAC8ALDH1A1ALOX15TSHR
SCHEMBL8511204 0.77 MAPT (0.67) MAPTHDAC8ALDH1A1ALOX15TSHR
SCHEMBL9896125 0.77 TPMT (0.41) MAPTHDAC8ALDH1A1ALOX15TSHR
SCHEMBL7249581 0.77 MAPT (0.48) MAPTHDAC8ALDH1A1ALOX15TSHR
SCHEMBL9895707 0.77 POLB (0.47) MAPTHDAC8ALDH1A1ALOX15TSHR
SCHEMBL16534312 0.76 ALDH1A1 (0.60) MAPTHDAC8ALDH1A1ALOX15TSHR
SCHEMBL1157782 0.74 MMP2 (0.61) MAPTHDAC8ALDH1A1ALOX15TSHR
SCHEMBL2960119 0.74 ALDH1A1 (0.61) MAPTHDAC8ALDH1A1ALOX15TSHR
SCHEMBL16534281 0.74 PRNP (0.50) MAPTHDAC8ALDH1A1ALOX15TSHR

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