SCHEMBL7994196

SCHEMBL7994196

CCCCOC(=O)O.OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(OCC3CC3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.51
EHMT2 Q96KQ7 1/20 0.51
S1PR5 Q9H228 3/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SLC6A5 Q9Y345 2/20 0.45
HRH1 P35367 1/20 0.45
MCHR1 Q99705 1/20 0.44

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
SCHEMBL7995588 0.87 DNMT1 (0.56) DNMT1EHMT2HRH3SLC6A5HRH1
SCHEMBL7472446 0.82 DNMT1 (0.58) DNMT1EHMT2S1PR5MEN1ALDH1A1
SCHEMBL8792733 0.79 KCNH2 (0.50) DNMT1EHMT2ALDH1A1HRH1
SCHEMBL8791438 0.75 TSHR (0.53) DNMT1EHMT2S1PR5MEN1ALDH1A1
SCHEMBL8792369 0.72 TSHR (0.55) DNMT1EHMT2MEN1ALDH1A1CYP2D6
SCHEMBL8792085 0.72 ALDH1A1 (0.49) DNMT1EHMT2S1PR5MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8200558 0.71 KCNH2 (0.67) DNMT1EHMT2ALDH1A1HRH1
SCHEMBL7472545 0.71 DNMT1 (0.58) DNMT1EHMT2ALDH1A1HRH3SLC6A5
Trifluoroacetic Acid SCHEMBL387298 0.71 KCNH2 (0.56) ALDH1A1HRH3SLC6A5
SCHEMBL8792457 0.71 NPY2R (0.52) DNMT1EHMT2ALDH1A1RAB9AHRH1

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