SCHEMBL9748137

SCHEMBL9748137

Nc1c(CC(=O)O)cc(Br)cc1C(=O)c1ccc(Br)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.70
LMNA P02545 1/20 0.70
PTGS1 P23219 1/20 0.70
ADORA1 P30542 1/20 0.70
PTGS2 P35354 1/20 0.70
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SRD5A2 P31213 1/20 0.44

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
SCHEMBL9748702 0.90 ABCB11 (0.58) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9748584 0.87 ABCB11 (0.65) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747494 0.87 ABCB11 (0.65) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747817 0.87 ABCB11 (0.65) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL28420990 0.84 ABCB11 (0.97) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747811 0.84 LMNA (0.61) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL14861906 0.82 ABCB11 (1.00) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL34411 0.82 ABCB11 (1.00) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL10904439 0.82 ABCB11 (0.55) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL57092 0.81 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