SCHEMBL7998083

SCHEMBL7998083

CCCOc1ccc(C[N+]2(OCCC(=O)O)CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
PPARA Q07869 4/20 0.37
PPARD Q03181 3/20 0.37
ALDH1A1 P00352 1/20 0.37
PPARG P37231 3/20 0.36
FFAR1 O14842 3/20 0.36
NPY2R P49146 1/20 0.36
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
DNMT1 P26358 1/20 0.35
EHMT2 Q96KQ7 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
SCHEMBL7983659 0.81 CYP1A1 (0.40) LMNACYP1A1CYP1B1ALDH1A1NPY2R
Iodide SCHEMBL7994169 0.77 PTGES (0.37) LMNAPPARGNPY2RALOX5PTGES
SCHEMBL8792330 0.73 KCNH2 (0.42) LMNAL3MBTL1ALDH1A1NPY2R
SCHEMBL7472446 0.72 DNMT1 (0.58) L3MBTL1ALDH1A1DNMT1EHMT2
SCHEMBL8120655 0.72 CYP1A1 (0.38) LMNACYP1A1CYP1B1PPARAPPARD
SCHEMBL11605293 0.69 L3MBTL1 (0.61) L3MBTL1CYP1A1CYP1B1PPARAPPARD
SCHEMBL7995779 0.68 PTGES (0.36) PPARGNPY2RALOX5PTGESDNMT1
SCHEMBL8121183 0.67 LTA4H (0.43) LMNACYP1A1CYP1B1ALDH1A1DNMT1
SCHEMBL21991284 0.67 MAOB (0.63) PPARAPPARDPPARGFFAR1FFAR4
Hydrochloric Acid SCHEMBL8123094 0.67 LTA4H (0.42) LMNACYP1A1CYP1B1ALDH1A1DNMT1

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 4 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 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