SCHEMBL9747378

SCHEMBL9747378

COc1cc(CC(=O)O)c(N)c(C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
AKR1C4 P17516 1/20 0.47
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
SCHEMBL9747010 0.88 LMNA (0.49) POLBHPGDMAPTRAB9APTGS1
SCHEMBL9747811 0.88 LMNA (0.61) MAPTRAB9APTGS1
SCHEMBL9747171 0.84 ABCB11 (0.51) PTGS1
SCHEMBL9747127 0.83
SCHEMBL9748702 0.81 ABCB11 (0.58) PTGS1
SCHEMBL9747760 0.81 ABCB11 (0.48) PTGS1
SCHEMBL16760632 0.80 POLB (0.59) POLBHPGDMAPTRAB9A
SCHEMBL9747423 0.78 ABCB11 (0.48) PTGS1
SCHEMBL11462112 0.78
SCHEMBL9747303 0.76 ABCB11 (0.49) PTGS1

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