SCHEMBL4459727

SCHEMBL4459727

OP(O)OCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.44
KCNH2 Q12809 2/20 0.38
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
LMNA P02545 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL4452181 0.89 KIF11 (0.50) KIF11KCNH2CHRM4CHRM5CHRM3
SCHEMBL8834475 0.85 KIF11 (0.47) KIF11KCNH2CYP2D6
SCHEMBL16822396 0.85 KIF11 (0.47) KIF11KCNH2CYP2D6
SCHEMBL4454998 0.79 KIF11 (0.38) KIF11KCNH2SMN1; SMN2CYP11B1CYP11B2
SCHEMBL703111 0.72 KIF11 (0.48) KIF11KCNH2CHRM4CHRM5CHRM3
SCHEMBL2326286 0.72 KIF11 (0.48) KIF11KCNH2CHRM4CHRM5CHRM3
SCHEMBL1149158 0.72 KIF11 (0.64) KIF11KCNH2CYP2D6SMN1; SMN2CYP11B1
SCHEMBL2674813 0.72 KIF11 (0.44) KIF11KCNH2CHRM4CHRM5CHRM3
SCHEMBL2768758 0.72 KIF11 (0.44) KIF11KCNH2CHRM4CHRM5CHRM3
SCHEMBL11865222 0.72 LMNA (0.36) KIF11KCNH2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed
EP-0013382-B1 PROCESS FOR THE PREPARATION OF M-AMINO-PHENOLS BASF Aktiengesellschaft (DE) 1982-12-15 EP disclosed
EP-0013382-A1 Process for the preparation of m-amino-phenols BASF Aktiengesellschaft (DE) 1980-07-23 EP disclosed
US-4067903-A Manufacture of arylamines BASF AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed