SCHEMBL8771277

SCHEMBL8771277

CCCCC[Si@H]1CC[C@H](C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.34
SPHK2 Q9NRA0 7/20 0.31
CTSC P53634 1/20 0.31
RARB P10826 2/20 0.30
RARA P10276 1/20 0.30
RARG P13631 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
SCHEMBL8439830 1.00 SPHK1 (0.34) SPHK1SPHK2CTSCRARBRARA
SCHEMBL7753074 1.00 SPHK1 (0.34) SPHK1SPHK2CTSCRARBRARA
SCHEMBL7753070 1.00 SPHK1 (0.34) SPHK1SPHK2CTSCRARBRARA
SCHEMBL8444464 0.92 CTSC (0.30) CTSC
SCHEMBL7756655 0.92 CTSC (0.30) CTSC
SCHEMBL7756657 0.92 CTSC (0.30) CTSC
SCHEMBL8771564 0.92 CTSC (0.30) CTSC
SCHEMBL9008468 0.91 SPHK1 (0.33) SPHK1SPHK2
SCHEMBL9008466 0.91 SPHK1 (0.33) SPHK1SPHK2
SCHEMBL7756609 0.91 SPHK1 (0.34) SPHK1SPHK2RARBRARARARG

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-0799878-A1 Liquid crystal compositions and liquid crystal display elements containing same Shin-Etsu Chemical Co., Ltd. (JP) 1997-10-08 EP disclosed