SCHEMBL9008550

SCHEMBL9008550

CCC[SiH]1CCC(CC[C@H]2CC[C@H](c3ccc(-c4ccc(OC(F)(F)F)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
NAAA Q02083 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
EPHX2 P34913 3/20 0.32
PDE2A O00408 2/20 0.31
FASN P49327 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL8022434 1.00 CTSK (0.33) CTSKNAAAALOX5APFEN1EPHX2
SCHEMBL8022431 1.00 CTSK (0.33) CTSKNAAAALOX5APFEN1EPHX2
SCHEMBL8022432 1.00 CTSK (0.33) CTSKNAAAALOX5APFEN1EPHX2
SCHEMBL7759077 0.93 CTSK (0.36) CTSKNAAAALOX5APFEN1EPHX2
SCHEMBL8021711 0.89
SCHEMBL8021707 0.89
SCHEMBL9008467 0.89
SCHEMBL8021716 0.89
SCHEMBL7769945 0.88 EPHX2 (0.33) EPHX2PDE2ACYP2C9
SCHEMBL7769939 0.88 EPHX2 (0.33) EPHX2PDE2ACYP2C9

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-5582764-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-12-10 US disclosed