SCHEMBL9747349

SCHEMBL9747349

CC(C(=O)O)c1cc(Cl)cc(C(=O)c2ccc(Cl)cc2)c1N

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NR4A1 P22736 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL9748758 0.91 MAPT (0.44) PTGS1PTGS2MAPT
SCHEMBL9748529 0.88 PTGS1 (0.40) PTGS1PTGS2MEN1RAB9AKMT2A
SCHEMBL9747726 0.83 NR4A1 (0.49) PTGS1PTGS2MEN1RAB9AKMT2A
SCHEMBL9748269 0.82 NR4A1 (0.48) PTGS1PTGS2MEN1RAB9AKMT2A
SCHEMBL10396358 0.76 MEN1 (0.49) MEN1RAB9AKMT2ANR4A1MAPT
SCHEMBL9747238 0.75 MAPT (0.44) PTGS1PTGS2MAPT
SCHEMBL9747171 0.71 ABCB11 (0.51) PTGS1PTGS2
SCHEMBL11217519 0.71 S100B (0.40) NR4A1MAPT
SCHEMBL1569040 0.71 ALOX15 (0.41) MAPT
SCHEMBL8462914 0.71 PTGS1 (0.50) 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 6 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
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 disclosed
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
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 disclosed