SCHEMBL4783563

SCHEMBL4783563

CC(C)(C)[Si](C)(C)OCc1cccc(-c2cccc(CO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.49
AGXT P21549 3/20 0.42
FGFR1 P11362 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
KDR P35968 1/20 0.39
CDK8 P49336 1/20 0.39
FYN P06241 2/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
MAP2K4 P45985 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
F2 P00734 2/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL501378 0.92 MRGPRX4 (0.41) PRKCIKDR
SCHEMBL4727676 0.85 CYP4F2 (0.44) PRKCIAGXTF2
SCHEMBL3426549 0.82 AGXT (0.41) AGXTF2
SCHEMBL1206636 0.81 CA12 (0.38) KDRF2
SCHEMBL840465 0.81 GABRA1 (0.45)
SCHEMBL22262854 0.81 IRAK4 (0.44) PRKCIKDRCDK8S1PR1S1PR3
SCHEMBL5871245 0.80 CYP4F2 (0.43) AGXTACMSDCDK8
SCHEMBL7174917 0.80 CA2 (0.37) F2
SCHEMBL15125782 0.79 PRKCI (0.50) PRKCIFGFR1ACMSDCHRNB4CHRNA3
SCHEMBL3432959 0.79 AGXT (0.38) AGXTF2

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
WO-2008033455-A2 BIPHENYL AND HETEROARYL PHENYL DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASES INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO disclosed