SCHEMBL9894856

SCHEMBL9894856

O=C(O)c1c(S)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O.O=CCl

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL6513710 0.86 CYP1A2 (0.38) CYP1A2DPP4
SCHEMBL6515457 0.83 CYP1A2 (0.36) CYP1A2
SCHEMBL6519677 0.83 CYP1A2 (0.36) CYP1A2
SCHEMBL9895310 0.72 CYP3A4 (0.31)
SCHEMBL2773468 0.70 CYP1A2 (0.40) CYP1A2DPP4
Mellitic Acid SCHEMBL23507 0.69 CYP1A2 (0.50) CYP1A2DPP4
Mellitic Acid SCHEMBL22971 0.69 CYP1A2 (0.50) CYP1A2DPP4
SCHEMBL9894865 0.68 MAPT (0.41) CYP1A2DPP4
SCHEMBL11760643 0.67 CYP1A2 (0.38) CYP1A2DPP4
Mellitic Acid SCHEMBL28353323 0.65 CYP1A2 (0.47) CYP1A2DPP4

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