SCHEMBL5325668

SCHEMBL5325668

C#CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.55
HRH4 Q9H3N8 1/20 0.46
TK2 O00142 9/20 0.41
TK1 P04183 1/20 0.40
DUT P33316 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A1 P30531 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
CA12 O43570 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL5323607 0.94 KIF11 (0.53) KIF11HRH4TK2TK1DUT
SCHEMBL5326522 0.93 KIF11 (0.52) KIF11HRH4TK2TK1DUT
SCHEMBL9371526 0.90 KIF11 (0.57) KIF11HRH4TK2TK1DUT
SCHEMBL260513 0.83 KIF11 (0.53) KIF11HRH4TK2TK1DUT
SCHEMBL11275984 0.79 KIF11 (0.74) KIF11HRH4TK2TK1DUT
SCHEMBL5324252 0.78 KIF11 (0.50) KIF11HRH4TK2TK1DUT
SCHEMBL22128493 0.77 KIF11 (0.50) KIF11HRH4TK2TK1DUT
SCHEMBL2489713 0.76 KIF11 (0.59) KIF11HRH4TK2TK1DUT
SCHEMBL913478 0.76 KIF11 (0.59) KIF11HRH4TK2TK1DUT
SCHEMBL5282316 0.76 KIF11 (0.59) KIF11HRH4TK2TK1DUT

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
EP-0827423-B1 FUNCTIONALIZED CHAIN EXTENDED INITIATORS FOR ANIONIC POLYMERIZATION FMC CORP (US) 2007-12-12 EP claimed