SCHEMBL9747730

SCHEMBL9747730

CCC(C(=O)O)c1cccc(C(=O)c2ccc(Cl)cc2)c1N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.46
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.40
ADORA1 P30542 1/20 0.40
PTGS2 P35354 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
CHRNA7 P36544 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL10764202 0.99 NR4A1 (0.44) NR4A1ABCB11LMNAPTGS1ADORA1
SCHEMBL11732383 0.89 GAA (0.46) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL10764203 0.88 NR4A1 (0.40) NR4A1
SCHEMBL9747726 0.83 NR4A1 (0.49) NR4A1ABCB11LMNAPTGS1ADORA1
SCHEMBL9748269 0.82 NR4A1 (0.48) NR4A1ABCB11LMNAPTGS1ADORA1
SCHEMBL7529565 0.77 NR4A1 (0.38) NR4A1ABCB11LMNAPTGS1ADORA1
SCHEMBL28209564 0.76 AKR1C3 (0.47) LMNAMEN1RAB9AKMT2AMAPT
SCHEMBL9748276 0.75 NR4A1 (0.43) NR4A1
SCHEMBL10396589 0.73 NR4A1 (0.53) NR4A1MAPK14MEN1RAB9AKMT2A
SCHEMBL11320848 0.73 NR4A1 (0.56) NR4A1ABCB11LMNAPTGS1ADORA1

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
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