SCHEMBL7995779

SCHEMBL7995779

[O-][N+]1(Cc2ccc(OCC3CC3)cc2)CCC(C(O)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PSEN1 P49768 1/20 0.36
LTA4H P09960 1/20 0.36
CHRNA7 P36544 4/20 0.35
KCNH2 Q12809 1/20 0.35
MAOB P27338 5/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
DNMT1 P26358 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
NPY2R P49146 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
SCHEMBL8948324 0.92 CCR6 (0.40) CHRNA7KCNH2MAOBPARP15PARP10
SCHEMBL7983659 0.86 CYP1A1 (0.40) KCNH2MAOBDNMT1EHMT2NPY2R
Iodide SCHEMBL7994169 0.83 PTGES (0.37) PTGESALOX5PPARGPSEN1LTA4H
SCHEMBL13897176 0.80 KCNH2 (0.38) KCNH2NPY2R
SCHEMBL8792330 0.78 KCNH2 (0.42) KCNH2NPY2R
SCHEMBL7995588 0.78 DNMT1 (0.56) KCNH2DNMT1EHMT2
SCHEMBL8909049 0.77 CCR6 (0.39) KCNH2MAOBNPY2R
SCHEMBL13897193 0.76 MMP9 (0.40) PPARGKCNH2NPY2R
SCHEMBL8488930 0.74 BCHE (0.34) MAOBDNMT1EHMT2NPY2R
SCHEMBL7472407 0.72 ALDH1A1 (0.39) KCNH2DNMT1EHMT2NPY2R

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
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US claimed
EP-0912090-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORP (US) 2000-05-17 EP disclosed
EP-0912090-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1999-05-06 EP disclosed
US-5795901-A Insecticidal N-(substituted arylmethyl)-4- bis(substituted aryl)hydroxymethyl!piperidinium salts FMC CORPORATION (US) 1998-08-18 US disclosed
WO-1998000015-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1998-01-08 WO disclosed