SCHEMBL9747324

SCHEMBL9747324

Cc1ccccc1C(=O)c1cccc(CC(=O)O)c1N

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.59
ABCB11 O95342 1/20 0.59
LMNA P02545 1/20 0.59
PTGS1 P23219 1/20 0.59
ADORA1 P30542 1/20 0.59

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
SCHEMBL9747824 0.86 ABCB11 (0.58) PTGS2ABCB11LMNAPTGS1ADORA1
SCHEMBL10950222 0.84 PTGS2 (0.49) PTGS2ABCB11LMNAPTGS1ADORA1
SCHEMBL10950196 0.84 PTGS2 (0.49) PTGS2ABCB11LMNAPTGS1ADORA1
Amfenac SCHEMBL24249 0.83 ABCB11 (0.78) PTGS2ABCB11LMNAPTGS1ADORA1
Amfenac SCHEMBL30777846 0.83 ABCB11 (0.78) PTGS2ABCB11LMNAPTGS1ADORA1
SCHEMBL16396968 0.82 PTGS2 (0.54) PTGS2ABCB11LMNAPTGS1ADORA1
SCHEMBL11459000 0.82 ABCB11 (0.59) PTGS2ABCB11LMNAPTGS1ADORA1
SCHEMBL7532937 0.82 ABCB11 (0.68) PTGS2ABCB11LMNAPTGS1ADORA1
SCHEMBL9749157 0.82 ABCB11 (0.59) PTGS2ABCB11LMNAPTGS1ADORA1
Amfenac SCHEMBL9998546 0.81 ABCB11 (0.76) PTGS2ABCB11LMNAPTGS1ADORA1

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 4 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