SCHEMBL9749113

SCHEMBL9749113

Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.54
LMNA P02545 1/20 0.54
PTGS1 P23219 1/20 0.54
ADORA1 P30542 1/20 0.54
PTGS2 P35354 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
CHRM1 P11229 1/20 0.48
RECQL P46063 1/20 0.48
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CXCL8 P10145 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SRD5A2 P31213 1/20 0.44

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
SCHEMBL11224649 0.89 ALDH1A1 (0.52) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747643 0.87 ABCB11 (0.66) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9749157 0.86 ABCB11 (0.59) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747268 0.82 ABCB11 (0.63) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL4461297 0.82 ABCB11 (0.74) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL9747930 0.82 L3MBTL1 (0.48) L3MBTL1CHRM1TSHRCASP1SMN1; SMN2
SCHEMBL9747781 0.82 MEN1 (0.48) PTGS2L3MBTL1TSHRCASP1SMN1; SMN2
SCHEMBL11338352 0.81 RECQL (0.61) LMNARECQLTSHRCASP1SMN1; SMN2
SCHEMBL11320921 0.80 L3MBTL1 (0.46) L3MBTL1CHRM1TSHRCASP1SMN1; SMN2
SCHEMBL9747277 0.78 ABCB11 (0.65) ABCB11LMNAPTGS1ADORA1PTGS2

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