SCHEMBL9747885

SCHEMBL9747885

CCC1C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.43
▸ NR4A1 P22736 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CDYL2 Q8N8U2 1/20 0.39
▸ CDYL Q9Y232 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL9748582 0.83 NR4A1 (0.44) PGRNR4A1LMNAMAPTKMT2A
SCHEMBL23835719 0.75 PGR (0.52) PGRLMNAMAPTKDM4EKMT2A
SCHEMBL2987129 0.70 ALDH1A1 (0.44) PGRMAPTKMT2APOLBALDH1A1
SCHEMBL10949720 0.70 ALDH1A1 (0.34) LMNAMAPTKDM4EKMT2AALDH1A1
SCHEMBL9747889 0.70 AKR1C3 (0.44) LMNAMAPTKDM4EKMT2AHPGD
SCHEMBL9748600 0.70 KMT2A (0.41) PGRNR4A1MAPTKMT2AHPGD
SCHEMBL9667223 0.68 ALDH1A1 (0.45) MAPTKDM4EKMT2AHPGDPOLB
SCHEMBL11478104 0.68 AKR1C3 (0.39) MAPTKMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL9748589 0.68 KMT2A (0.39) PGRNR4A1LMNAMAPTKMT2A
SCHEMBL28381581 0.68 AKR1C3 (0.41) LMNAMAPTKMT2AHPGDPOLB

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 3 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 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
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