Sugi Predict

Sugi Predict / Compounds / SCHEMBL7255641

SCHEMBL7255641

SCHEMBL7255641

CC(COS(C)(=O)=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.45
▸ AOC3 Q16853 2/20 0.41
▸ TRPA1 O75762 4/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ GRIA4 P48058 1/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.39
▸ IGLV6-57 P01721 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
SCHEMBL7255639 1.00 TAAR1 (0.45) TAAR1AOC3TRPA1RIPK1GRIA4
SCHEMBL7259968 1.00 TAAR1 (0.45) TAAR1AOC3TRPA1RIPK1GRIA4
SCHEMBL7516303 0.84 CA12 (0.46) TAAR1
SCHEMBL11041736 0.83 GRIA4 (0.45) GRIA4
SCHEMBL14441665 0.83 CA1 (0.50) TAAR1AOC3PTGES2
SCHEMBL5878353 0.81 PLCG1 (0.38) GRIA4
SCHEMBL5877993 0.81 PLCG1 (0.38) GRIA4
SCHEMBL18359541 0.81 PTGES2 (0.40) GRIA4PTGES2
SCHEMBL11958126 0.81 CA1 (0.39) GRIA4
SCHEMBL10472662 0.81 RIPK1 (0.46) TAAR1AOC3TRPA1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003070239-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 — — WO disclosed
WO-2003070238-A1 THIAZOLIDINE ANTIFUNGAL AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 — — WO disclosed