SCHEMBL9747882

SCHEMBL9747882

COc1ccc(C(=O)c2cccc(CC(=O)O)c2N)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.69
LMNA P02545 1/20 0.69
PTGS1 P23219 1/20 0.69
ADORA1 P30542 1/20 0.69
PTGS2 P35354 1/20 0.69
MMP2 P08253 2/20 0.50
MMP12 P39900 2/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
MMP16 P51512 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP9 P14780 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 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
SCHEMBL14259336 0.86 KMT2A (0.59) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747412 0.85 ABCB11 (0.74) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL24249 0.84 ABCB11 (0.78) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL30777846 0.84 ABCB11 (0.78) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL10904710 0.84 KMT2A (0.50) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL9747734 0.83 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL42390 0.83 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL11168965 0.83 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL9998546 0.83 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL11726346 0.83 ABCB11 (0.76) 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 8 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-4045576-A ANTI-INFLAMMATORY METHODS USING 2-AMINO-3-(5- AND 6-)BENZOYLPHENYLACETIC ACIDS, ESTERS AND METAL SALTS THEREOF AND THE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-08-30 US claimed
US-4568695-A ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-02-04 US disclosed
US-4182774-A Method of inhibiting blood platelet aggregation with 2-amino-3-(5- and 6-)benzoylphenylacetic acids, esters and metal salts thereof A. H. ROBINS COMPANY, INCORPORATED (US) 1980-01-08 US disclosed
US-4126635-A ANTICHOLESTEROL, BLOOD PLATELET AGGREGATION INHIBITION A. H. ROBINS COMPANY, INCORPORATED (US) 1978-11-21 US disclosed
US-4045576-A ANTI-INFLAMMATORY METHODS USING 2-AMINO-3-(5- AND 6-)BENZOYLPHENYLACETIC ACIDS, ESTERS AND METAL SALTS THEREOF AND THE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-08-30 US disclosed