SCHEMBL9747781

SCHEMBL9747781

Cc1cc(CC(=O)O)c(N)c(C(=O)c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SRD5A2 P31213 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10905330 0.85 KDM4E (0.42) SMN1; SMN2TSHRCASP1SRD5A2KDM4E
SCHEMBL9747930 0.85 L3MBTL1 (0.48) MEN1KMT2ARXFP1L3MBTL1SMN1; SMN2
SCHEMBL9747127 0.84
SCHEMBL10397036 0.82 GABRA1 (0.42) SRD5A2KDM4EMAPTALDH1A1
SCHEMBL9749113 0.82 ABCB11 (0.54) MEN1KMT2ARXFP1L3MBTL1PTGS2
SCHEMBL9747697 0.77 ABCB11 (0.46) MEN1KMT2ARXFP1L3MBTL1PTGS2
SCHEMBL9748170 0.77 ABCB11 (0.51) PTGS2MAPT
SCHEMBL9747506 0.77 PTGS1 (0.51) L3MBTL1PTGS2MAPTALDH1A1
SCHEMBL9747817 0.74 ABCB11 (0.65) PTGS2MAPT
SCHEMBL9747446 0.74 ABCB11 (0.48) PTGS2

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