SCHEMBL9747010

SCHEMBL9747010

COc1cc(CC(=O)O)c(N)c(C(=O)c2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
MAPK1 P28482 1/20 0.49
HRH1 P35367 1/20 0.49
HTT P42858 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4D Q08499 1/20 0.49
ABCB11 O95342 1/20 0.48
PTGS1 P23219 1/20 0.48
ADORA1 P30542 1/20 0.48
PTGS2 P35354 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.45

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
SCHEMBL9747811 0.88 LMNA (0.61) LMNAMAPK1HTTABCB11PTGS1
SCHEMBL11462112 0.88
SCHEMBL9747378 0.88 POLB (0.53) HPGDPTGS1POLBMAPTRAB9A
SCHEMBL10904673 0.85 CYP1A2 (0.48) LMNAALDH1A1CYP1A2CYP2C19PGR
SCHEMBL10397002 0.83 LMNA (0.46) LMNAALDH1A1CYP1A2CYP2C19PGR
SCHEMBL6642396 0.82 ALDH1A1 (0.60) LMNAALDH1A1CYP1A2CYP2C19PGR
SCHEMBL9748170 0.82 ABCB11 (0.51) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL11841468 0.80 ALDH1A1 (0.45) LMNAALDH1A1CYP1A2CYP2C19PGR
SCHEMBL9749155 0.79 ABCB11 (0.51) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL9747755 0.79 ABCB11 (0.51) LMNAABCB11PTGS1ADORA1PTGS2

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
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
US-4568695-A ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-02-04 US disclosed