SCHEMBL9747643

SCHEMBL9747643

Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.66
LMNA P02545 1/20 0.66
PTGS1 P23219 1/20 0.66
ADORA1 P30542 1/20 0.66
PTGS2 P35354 1/20 0.66
MAPK1 P28482 1/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL9749113 0.87 ABCB11 (0.54) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL10905343 0.85 ABCB11 (0.46) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747697 0.85 ABCB11 (0.46) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9749157 0.84 ABCB11 (0.59) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL10396917 0.82 ABCB11 (0.44) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL28420990 0.81 ABCB11 (0.97) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL34411 0.80 ABCB11 (1.00) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL14861906 0.80 ABCB11 (1.00) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL57092 0.79 ABCB11 (0.97) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL57090 0.79 ABCB11 (0.97) 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