SCHEMBL9747962

SCHEMBL9747962

Nc1c(CC(=O)O)ccc(Cl)c1C(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
LMNA P02545 1/20 0.47
ADORA1 P30542 1/20 0.47
CXCL8 P10145 4/20 0.42
AKR1B1 P15121 1/20 0.41
CYP2C9 P11712 1/20 0.40
AKR1B10 O60218 1/20 0.40
UGT1A9 O60656 1/20 0.40
TRPA1 O75762 1/20 0.40
MT-CO2 P00403 1/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
UGT1A6 P19224 1/20 0.40
UGT1A1 P22309 1/20 0.40
CXCR1 P25024 1/20 0.40
ADRA1A P35348 1/20 0.40
AGTR2 P50052 1/20 0.40
NR1I3 Q14994 1/20 0.40

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
SCHEMBL9747995 0.81 LMNA (0.47) ABCB11PTGS1PTGS2LMNAADORA1
SCHEMBL9833894 0.77 CNR2 (0.45) LMNAHPGDKMT2A
SCHEMBL10711003 0.76 CYP1A2 (0.44) ABCB11PTGS1PTGS2LMNAADORA1
SCHEMBL5056827 0.76 AKR1C3 (0.48) LMNAKMT2A
Amfenac SCHEMBL24249 0.74 ABCB11 (0.78) ABCB11PTGS1PTGS2LMNAADORA1
Amfenac SCHEMBL30777846 0.74 ABCB11 (0.78) ABCB11PTGS1PTGS2LMNAADORA1
SCHEMBL10951450 0.74 SRC (0.37) ABCB11PTGS1PTGS2LMNAADORA1
SCHEMBL10951428 0.74 SRC (0.37) ABCB11PTGS1PTGS2LMNAADORA1
Amfenac SCHEMBL9747734 0.73 ABCB11 (0.76) ABCB11PTGS1PTGS2LMNAADORA1
SCHEMBL10712245 0.73 CXCL8 (0.43) ABCB11PTGS1PTGS2LMNACXCL8

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 4 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