SCHEMBL8629490

SCHEMBL8629490

Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)n[nH]c2OC=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.45
ALOX5 P09917 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PTGS1 P23219 1/20 0.39

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
SCHEMBL8628003 0.89 PTGS2 (0.49) PTGS2LRRK2PTGS1
SCHEMBL7779480 0.77 PTGS2 (0.45) PTGS2LRRK2PTGS1
SCHEMBL7779772 0.74 LRRK2 (0.50) PTGS2LRRK2PTGS1
SCHEMBL7777288 0.74 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL8179840 0.74 PTGS2 (0.46) PTGS2LRRK2
SCHEMBL7778123 0.73 PTGS2 (0.44) PTGS2LRRK2
SCHEMBL7779923 0.72 PTGS2 (0.44) PTGS2LRRK2PTGS1
SCHEMBL7778222 0.72 PTGS2 (0.44) PTGS2LRRK2PTGS1
SCHEMBL8627686 0.71 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7779618 0.70 PTGS2 (0.57) PTGS2LRRK2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed