SCHEMBL9019032

SCHEMBL9019032

COC(CC(C#N)C(=O)c1ccc(Cl)cc1)OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 1/20 0.40
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
GSK3B P49841 2/20 0.35
CNR2 P34972 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9018972 0.85 NPC1 (0.42) L3MBTL1ALDH1A1NPC1HTTCES2
SCHEMBL1143242 0.80 HTT (0.47) RAPGEF3L3MBTL1ALDH1A1NPC1GAA
SCHEMBL30737544 0.76 RAPGEF3 (0.44) RAPGEF3HPGDL3MBTL1ALDH1A1NPC1
SCHEMBL24164406 0.74 ROCK2 (0.34) ALDH1A1HTT
SCHEMBL9019041 0.74 ALDH1A1 (0.40) L3MBTL1ALDH1A1NPC1HTTCES2
SCHEMBL24164538 0.72 GRN (0.40) HPGDL3MBTL1ALDH1A1HTTLMNA
SCHEMBL24164541 0.71 KLKB1 (0.43) L3MBTL1ALDH1A1KDM4E
SCHEMBL1143569 0.71 CES2 (0.45) RAPGEF3L3MBTL1ALDH1A1NPC1HTT
SCHEMBL9582898 0.71 L3MBTL1 (0.57) L3MBTL1ALDH1A1GSK3BLMNAMAPT
SCHEMBL24262370 0.70

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-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP disclosed
US-5399716-A N-oxygenated arylpyrrole insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1995-03-21 US disclosed
US-5347016-A N-oxygenated arylpyrrole intermediates for insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1994-09-13 US disclosed
US-5232979-A Insecticides, miticides, nematocides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5102904-A N-OXYGENATED ARYLPYRROLE INSECTICIDAL, ACARICIDAL AND NEMATICIDAL AGENTS AND USE THEREAS AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed
EP-0434940-A2 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed