SCHEMBL9747238

SCHEMBL9747238

CC(C(=O)O)c1cc(F)cc(C(=O)c2ccc(Br)cc2)c1N

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
ADORA1 P30542 1/20 0.43
POLB P06746 1/20 0.40
AKR1C3 P42330 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
SCHEMBL9748529 0.87 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL9748758 0.85 MAPT (0.44) MAPTNPC1MAPK1HTTPTGS1
SCHEMBL9747065 0.80 PTGS1 (0.56) MAPTNPC1MAPK1HTTPTGS1
SCHEMBL10395933 0.77 MAPT (0.40) MAPTNPC1MAPK1HTTPTGS1
SCHEMBL9748584 0.76 ABCB11 (0.65) MAPTNPC1MAPK1HTTPTGS1
SCHEMBL9747349 0.75 PTGS1 (0.43) MAPTPTGS1PTGS2
SCHEMBL10903114 0.74 ABCB11 (0.51) MAPTNPC1MAPK1HTTPTGS1
SCHEMBL10396631 0.72 ABCB11 (0.46) MAPTNPC1MAPK1HTTPTGS1
SCHEMBL10396352 0.70 MAPT (0.67) MAPTNPC1MAPK1HTTPTGS1
SCHEMBL2739311 0.70 LMNA (0.56) MAPTNPC1MAPK1HTTPTGS1

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
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