SCHEMBL9747760

SCHEMBL9747760

Nc1c(CC(=O)O)cc(F)cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.48
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48
ADORA1 P30542 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL9748227 0.90 ABCB11 (0.51) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9749155 0.87 ABCB11 (0.51) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747171 0.87 ABCB11 (0.51) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747912 0.86 PTGS1 (0.48) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9748584 0.86 ABCB11 (0.65) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747930 0.84 L3MBTL1 (0.48)
SCHEMBL9747127 0.84
SCHEMBL9748702 0.84 ABCB11 (0.58) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9748500 0.83 ABCB11 (0.45) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747378 0.81 POLB (0.53) PTGS1

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
EP-0221753-B1 TRANSDERMAL TREATMENT FOR PAIN AND INFLAMMATION WITH 2-AMINO-3-AROYLBENZENEACETIC ACIDS, SALTS AND ESTERS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-01-08 EP claimed
US-4683242-A Transdermal treatment for pain and inflammation with 2-amino-3-aroylbenzeneacetic acids, salts and esters A. H. ROBINS COMPANY, INCORPORATED (US) 1987-07-28 US claimed
EP-0221753-A2 Transdermal treatment for pain and inflammation with 2-amino-3-aroylbenzeneacetic acids, salts and esters A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-05-13 EP claimed