SCHEMBL9424874

SCHEMBL9424874

CCCCCCCCCCCCNC=CC#N

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
ADH1B P00325 2/20 0.50
ADH1C P00326 2/20 0.50
ADH1A P07327 2/20 0.50
ADH7 P40394 2/20 0.50
ADH4 P08319 1/20 0.50
ZDHHC20 Q5W0Z9 2/20 0.37
ZDHHC2 Q9UIJ5 2/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.33
PPARA Q07869 2/20 0.32
GBA1 P04062 1/20 0.31
CASP2 P42575 1/20 0.31

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
SCHEMBL11407478 1.00 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL4056624 0.98 EPHX1 (0.46) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL11410452 0.91
SCHEMBL11409085 0.91
SCHEMBL14417674 0.82
SCHEMBL11267407 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL11859005 0.73 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL16452855 0.73 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL19068630 0.73 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL22157384 0.73 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7

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
US-5366516-A Heterocyclic compounds useful as additives for lubricant and fuel compositions THE LUBRIZOL CORPORATION (US) 1994-11-22 US disclosed
US-5308520-A Improved fuel efficiency, unsaturated piperidine compounds THE LUBRIZOL CORPORATION (US) 1994-05-03 US disclosed
EP-0333705-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ADDITIVES FOR LUBRICANT AND FUEL COMPOSITIONS The Lubrizol Corporation (US) 1991-10-02 EP disclosed
EP-0333705-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ADDITIVES FOR LUBRICANT AND FUEL COMPOSITIONS. LUBRIZOL CORP (US) 1989-09-27 EP disclosed
US-4784782-A FRICTION RESISTANCE THE LUBRIZOL CORPORATION (US) 1988-11-15 US disclosed
WO-1987005926-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ADDITIVES FOR LUBRICANT AND FUEL COMPOSITIONS THE LUBRIZOL CORPORATION (US) 1987-10-08 WO disclosed