SCHEMBL9747865

SCHEMBL9747865

CCOC(=O)Cc1cc(Cl)cc(C(=O)c2ccccc2)c1N

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9747755 0.83 ABCB11 (0.51)
SCHEMBL2746976 0.82 ABCB11 (0.54) HPGDPOLBL3MBTL1
SCHEMBL7531015 0.82 ALOX15 (0.45)
Water SCHEMBL11468777 0.82 ABCB11 (0.50)
SCHEMBL11223030 0.81 SMN1; SMN2 (0.44)
SCHEMBL11476925 0.79 ABCB11 (0.51)
SCHEMBL9747423 0.77 ABCB11 (0.48)
SCHEMBL10905309 0.77 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10396987 0.76 MAPT (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9747171 0.75 ABCB11 (0.51)

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 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