SCHEMBL8396358

SCHEMBL8396358

CP(C)(C)(C)OB(O)OCCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.41
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRM5 P08912 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32

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
SCHEMBL8400084 0.87 KIF11 (0.41) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8652182 0.86 KIF11 (0.50) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8396009 0.86 KIF11 (0.39) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL5716361 0.84 KIF11 (0.40) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL7644560 0.82 KIF11 (0.36) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8395845 0.80 KIF11 (0.35) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL532733 0.79 KIF11 (0.50) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8398659 0.79 KIF11 (0.46) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Ethane SCHEMBL4197868 0.78 KIF11 (0.46) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL4205266 0.78 KIF11 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613058-B1 Light-decolorizable recording material SHOWA DENKO KK (JP) 1999-06-02 EP disclosed
US-5846682-A Light decolorizable recording material, ink and toner SHOWA DENKO K.K. (JP) 1998-12-08 US disclosed
EP-0613058-A1 Light-decolorizable recording material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-08-31 EP disclosed