SCHEMBL8018581

SCHEMBL8018581

COc1cccc(C(CCCCCOB(O)O)(c2cccc(OC)c2)c2cccc(OC)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.40
KCNH2 Q12809 2/20 0.40
ENPP2 Q13822 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAOB P27338 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM2 P08172 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 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
SCHEMBL8018673 0.83 KIF11 (0.50) KIF11KCNH2ENPP2HDAC1HDAC6
SCHEMBL8019383 0.83 KIF11 (0.50) KIF11KCNH2ENPP2HDAC1HDAC6
SCHEMBL6933766 0.81 KIF11 (0.51) KIF11KCNH2ENPP2ALDH1A1NPSR1
SCHEMBL7661742 0.81 KIF11 (0.51) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL7667929 0.81 KIF11 (0.33) KIF11KCNH2ALDH1A1CYP3A4CYP2D6
SCHEMBL5143617 0.81 KCNN4 (0.36) KIF11KCNH2HDAC6CYP3A4CYP2D6
SCHEMBL6927526 0.80 KIF11 (0.40) KIF11KCNH2SMN1; SMN2CYP3A4LMNA
SCHEMBL8016473 0.79 KIF11 (0.47) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8023303 0.79 KIF11 (0.47) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL7666679 0.79 KIF11 (0.47) 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
US-6096794-A PHOTOINITIATOR SYSTEM FOR PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED POLYMERIZABLE COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-08-01 US disclosed