SCHEMBL5868580

SCHEMBL5868580

CCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.57
KCNH2 Q12809 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
SCN5A Q14524 3/20 0.43
SCN9A Q15858 3/20 0.43
EBP Q15125 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL27676286 1.00 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL28062215 1.00 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL17817860 1.00 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL27595906 1.00 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3835118 0.98 KIF11 (0.59) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Cyanide SCHEMBL27787964 0.92 KIF11 (0.53) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1974299 0.91 KIF11 (0.61) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Sulfuric Acid SCHEMBL28137367 0.89 KIF11 (0.47) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL15559247 0.89 KIF11 (0.47) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Fluoride SCHEMBL27680958 0.89 KIF11 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060736-B2 Blowing agent solubility in polymers FINE TECHNOLOGY, INC. (US) 2006-06-13 US disclosed
US-20040225023-A1 Blowing agent solubility in polymers FINA TECHNOLOGY, INC. 2004-11-11 US disclosed