SCHEMBL9747277

SCHEMBL9747277

Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.65
LMNA P02545 1/20 0.65
PTGS1 P23219 1/20 0.65
ADORA1 P30542 1/20 0.65
PTGS2 P35354 1/20 0.65
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 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
SCHEMBL9747268 0.85 ABCB11 (0.63) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL4461297 0.85 ABCB11 (0.74) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL30777846 0.81 ABCB11 (0.78) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL24249 0.81 ABCB11 (0.78) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL28420990 0.81 ABCB11 (0.97) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9749157 0.80 ABCB11 (0.59) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL9747734 0.80 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL9998546 0.80 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL9747027 0.80 ABCB11 (0.76) ABCB11LMNAPTGS1ADORA1PTGS2
Amfenac SCHEMBL11726346 0.80 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 3 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