SCHEMBL9002801

SCHEMBL9002801

CCCCCCCCCCCCCCCCCCCC1(C(N)=O)OCC(C)O1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.33
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1995176 0.77 SPHK1 (0.36) SPHK1CYP3A4CYP2C19
SCHEMBL423941 0.77 SPHK1 (0.36) SPHK1
SCHEMBL2219784 0.75 MEN1 (0.38) CYP3A4CYP2C19
SCHEMBL2221257 0.75 MEN1 (0.38) CYP3A4CYP2C19
SCHEMBL1997477 0.74 SPHK1 (0.35) SPHK1
SCHEMBL11787068 0.73 CPT2 (0.35) CPT2SPHK1CYP3A4CYP2C9CYP2C19
SCHEMBL425727 0.73 SPHK1 (0.34) SPHK1
SCHEMBL15158730 0.72 ALDH1A1 (0.36)
SCHEMBL22971836 0.70 ALDH1A1 (0.35)
SCHEMBL22971840 0.70 ALDH1A1 (0.35)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5582950-A BLENDING AMINIUM SALT, POSITIVE CHARGE CONTROL AGENT SEPARATELY WITH DIFFERENT NONREACTIVE BINDER RESINS FUJITSU LIMITED (JP) 1996-12-10 US disclosed
US-5432035-A Flash fixing color toner and process for producing the same FUJITSU LIMITED (JP) 1995-07-11 US disclosed