SCHEMBL9747726

SCHEMBL9747726

CC(C(=O)O)c1cccc(C(=O)c2ccc(Cl)cc2)c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.49
PTGS1 P23219 5/20 0.43
PTGS2 P35354 5/20 0.43
MAPK14 Q16539 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
CXCL8 P10145 1/20 0.41
LMNA P02545 2/20 0.40
SRD5A2 P31213 1/20 0.40
ABCB11 O95342 1/20 0.40
ADORA1 P30542 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
RECQL P46063 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
SCHEMBL9748269 0.99 NR4A1 (0.48) NR4A1PTGS1PTGS2MAPK14MEN1
SCHEMBL8462914 0.88 PTGS1 (0.50) PTGS1PTGS2MAPK14MEN1KMT2A
SCHEMBL9748276 0.86 NR4A1 (0.43) NR4A1
SCHEMBL9747065 0.86 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2AMAPT
SCHEMBL9747349 0.83 PTGS1 (0.43) NR4A1PTGS1PTGS2MEN1RAB9A
SCHEMBL9747225 0.83 RECQL (0.46) MAPK14MEN1RAB9AKMT2AMAPT
SCHEMBL9747730 0.83 NR4A1 (0.46) NR4A1PTGS1PTGS2MAPK14MEN1
SCHEMBL10764202 0.82 NR4A1 (0.44) NR4A1PTGS1PTGS2MAPK14MEN1
SCHEMBL9748529 0.80 PTGS1 (0.40) NR4A1PTGS1PTGS2MEN1RAB9A
SCHEMBL6832899 0.79 G6PD (0.52) PTGS1PTGS2MEN1KMT2AMAPT

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