SCHEMBL8516933

SCHEMBL8516933

c1ccc(C(CCCCCCCOCCCCCCCC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.55
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNA3 P22001 1/20 0.38

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
SCHEMBL31415572 1.00 KIF11 (0.55) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL28491862 0.91 KIF11 (0.59) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL15559247 0.91 KIF11 (0.47) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL28491134 0.84 KIF11 (0.44) KIF11KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2328040 0.84 KIF11 (0.52) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL2326451 0.84 KIF11 (0.52) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL2327154 0.84 KIF11 (0.52) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL2328128 0.84 KIF11 (0.52) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL2324748 0.84 KIF11 (0.52) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL2326446 0.82 KIF11 (0.53) 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
EP-0890096-A1 CATION-SELECTIVE SENSOR INSTITUT FÜR CHEMO- UND BIOSENSORIK Münster e.V. (DE) 1999-01-13 EP disclosed
WO-1997037215-A1 CATION-SELECTIVE SENSOR Institut für Chemo- und Biosensorik Münster E.V. (DE) 1997-10-09 WO disclosed