SCHEMBL7997652

SCHEMBL7997652

CC(C)OC(=O)c1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.60
EHMT2 Q96KQ7 1/20 0.60
HRH1 P35367 2/20 0.50
HIF1A Q16665 4/20 0.48
EPAS1 Q99814 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNH2 Q12809 3/20 0.48
GPR119 Q8TDV5 1/20 0.48
ADRB2 P07550 1/20 0.48
TEAD1 P28347 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8948429 0.91 DNMT1 (0.50) DNMT1EHMT2HRH1KCNH2ADRB2
SCHEMBL8948400 0.78 DNMT1 (0.58) DNMT1EHMT2HRH1KCNH2TEAD1
SCHEMBL8792457 0.78 NPY2R (0.52) DNMT1EHMT2HRH1KCNH2TEAD1
SCHEMBL8948348 0.77 HRH1 (0.52) DNMT1EHMT2HRH1KCNH2TEAD1
Hydrochloric Acid SCHEMBL8200558 0.76 KCNH2 (0.67) DNMT1EHMT2HRH1KCNH2KDM4E
SCHEMBL8948477 0.76 DNMT1 (0.61) DNMT1EHMT2HRH1KCNH2GPR119
SCHEMBL7472446 0.75 DNMT1 (0.58) DNMT1EHMT2HRH1L3MBTL1KCNH2
SCHEMBL7243421 0.75 CA12 (0.61) ALDH1A1
SCHEMBL8908394 0.75 DNMT1 (0.57) DNMT1EHMT2HRH1KCNH2GPR119
SCHEMBL29434969 0.75 DNMT1 (1.00) DNMT1EHMT2HRH1HIF1AEPAS1

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-0912090-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORP (US) 2000-05-17 EP claimed
EP-0912090-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1999-05-06 EP claimed
WO-1998000015-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1998-01-08 WO claimed