SCHEMBL9747697

SCHEMBL9747697

Nc1c(CC(=O)O)cc(Cl)cc1C(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
ADORA1 P30542 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL10905339 0.85 MAPK13 (0.38) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747643 0.85 ABCB11 (0.66) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747494 0.84 ABCB11 (0.65) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL10396628 0.82 MAPK13 (0.36) MEN1KMT2A
SCHEMBL9747781 0.77 MEN1 (0.48) PTGS2L3MBTL1MEN1KMT2ARXFP1
SCHEMBL9747930 0.77 L3MBTL1 (0.48) L3MBTL1MEN1KMT2ARXFP1
SCHEMBL9747171 0.77 ABCB11 (0.51) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747755 0.77 ABCB11 (0.51) ABCB11LMNAPTGS1ADORA1PTGS2
Water SCHEMBL11468777 0.76 ABCB11 (0.50) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747303 0.75 ABCB11 (0.49) ABCB11LMNAPTGS1ADORA1PTGS2

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 5 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
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 disclosed
US-4568695-A ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-02-04 US disclosed