SCHEMBL9747995

SCHEMBL9747995

Cc1ccc(CC(=O)O)c(N)c1C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
PTGS2 P35354 2/20 0.47
ABCB11 O95342 1/20 0.47
PTGS1 P23219 1/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
AKR1B1 P15121 1/20 0.41
GRM6 O15303 1/20 0.40
PTK2B Q14289 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL29054974 0.81 MAPT (0.51) LMNAALDH1A1MAPTGRM6PTK2B
SCHEMBL9747962 0.81 ABCB11 (0.47) LMNAPTGS2ABCB11PTGS1ADORA1
SCHEMBL10714684 0.78 PTGS1 (0.46) LMNAPTGS2ABCB11PTGS1ADORA1
SCHEMBL10951413 0.76 SRC (0.38) LMNAPTGS2ABCB11PTGS1ADORA1
SCHEMBL10951422 0.76 SRC (0.38) LMNAPTGS2ABCB11PTGS1ADORA1
SCHEMBL10713921 0.75 PTGS2 (0.43) LMNAPTGS2ABCB11PTGS1ADORA1
SCHEMBL11443283 0.75 CYP1A2 (0.44) LMNAPTGS2ABCB11PTGS1ADORA1
Amfenac SCHEMBL24249 0.74 ABCB11 (0.78) LMNAPTGS2ABCB11PTGS1ADORA1
Amfenac SCHEMBL30777846 0.74 ABCB11 (0.78) LMNAPTGS2ABCB11PTGS1ADORA1
SCHEMBL7487247 0.74 ATM (0.50) LMNAPTGS2PTGS1ALDH1A1HPGD

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