SCHEMBL9747225

SCHEMBL9747225

CC(C(=O)O)c1cccc(C(=O)c2ccc(Cl)cc2Cl)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SRD5A2 P31213 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CXCL8 P10145 1/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL9747726 0.83 NR4A1 (0.49) RECQLSMN1; SMN2SRD5A2HSD17B10CXCL8
SCHEMBL9748269 0.82 NR4A1 (0.48) RECQLSMN1; SMN2SRD5A2HSD17B10CXCL8
SCHEMBL11338352 0.79 RECQL (0.61) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL8462914 0.76 PTGS1 (0.50) RECQLSMN1; SMN2HSD17B10CXCL8MAPT
SCHEMBL11219737 0.76 RECQL (0.43) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL6832899 0.76 G6PD (0.52) RECQLHSD17B10CXCL8MAPTMEN1
SCHEMBL9749113 0.74 ABCB11 (0.54) RECQLSMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL15641246 0.72 LMNA (0.55) SMN1; SMN2TSHRCASP1CXCL8MAPT
SCHEMBL838637 0.72 LMNA (0.55) SMN1; SMN2TSHRCASP1CXCL8MAPT
SCHEMBL29858584 0.72 LMNA (0.55) SMN1; SMN2TSHRCASP1CXCL8MAPT

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 6 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
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