SCHEMBL8652182

SCHEMBL8652182

OB(OCCCC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.50
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM4 P08173 4/20 0.34
CHRM5 P08912 4/20 0.34
CHRM3 P20309 4/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 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
SCHEMBL532733 0.89 KIF11 (0.50) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL4205266 0.87 KIF11 (0.48) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL8366919 0.87 KIF11 (0.48) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3623446 0.87 KIF11 (0.48) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL5916213 0.87 KIF11 (0.48) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8396358 0.86 KIF11 (0.41) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL5715639 0.86 KIF11 (0.41) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Methane SCHEMBL4201202 0.86 KIF11 (0.47) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL5716361 0.85 KIF11 (0.40) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL5715511 0.85 KIF11 (0.40) KIF11KCNH2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661598-B1 Decolorizable toner and a decolorizable toner production process SHOWA DENKO KK (JP) 1998-09-16 EP disclosed