SCHEMBL8003064

SCHEMBL8003064

CCCC[Si](C)(C)OCc1ccc(C#N)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.40
CYP11B1 P15538 13/20 0.38
CYP11B2 P19099 13/20 0.38
DAO P14920 2/20 0.37
KCNJ1 P48048 2/20 0.34
CNR1 P21554 1/20 0.34
AR P10275 1/20 0.33
KCNH2 Q12809 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
SCHEMBL7904763 0.78 CYP11B1 (0.42) TRPV4CYP11B1CYP11B2AR
SCHEMBL6928397 0.77 TRPV4 (0.42) TRPV4CYP11B1CYP11B2DAOCNR1
SCHEMBL11963202 0.75 TRPV4 (0.50) TRPV4CYP11B1CYP11B2DAOKCNJ1
SCHEMBL3631052 0.75 IDO1 (0.41)
SCHEMBL9240972 0.74 HSD17B10 (0.49) TRPV4CYP11B1CYP11B2DAOKCNJ1
SCHEMBL16892292 0.74 TRPV4 (0.52) TRPV4CYP11B1CYP11B2DAOCNR1
SCHEMBL31605567 0.74 TRPV4 (0.52) TRPV4CYP11B1CYP11B2DAOCNR1
SCHEMBL13548285 0.72 TRPV4 (0.53) TRPV4CYP11B1CYP11B2DAOKCNJ1
SCHEMBL2389038 0.71 TRPV4 (0.57) TRPV4CYP11B1CYP11B2DAO
SCHEMBL19387960 0.70 TRPV4 (0.47) TRPV4CYP11B1CYP11B2DAOCNR1

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-2000027627-A1 ARYLOXIME LINKERS IN THE SOLID-PHASE SYNTHESIS OF 3-AMINOBENZISOXAZOLES ELI LILLY AND COMPANY (US) 2000-05-18 WO disclosed