SCHEMBL8014697

SCHEMBL8014697

CCCCC[Si@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(-c4ccc(OC(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.31
ESR2 Q92731 1/20 0.31
PDE4B Q07343 1/20 0.31
CYP2C9 P11712 1/20 0.31
FPR2 P25090 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
SCHEMBL8014690 1.00 MGLL (0.31) MGLLESR2PDE4BCYP2C9FPR2
SCHEMBL8014693 1.00 MGLL (0.31) MGLLESR2PDE4BCYP2C9FPR2
SCHEMBL9008584 1.00 MGLL (0.31) MGLLESR2PDE4BCYP2C9FPR2
SCHEMBL7755821 0.92 MGLL (0.34) MGLLESR2PDE4BFPR2
SCHEMBL7755825 0.92 MGLL (0.34) MGLLESR2PDE4BFPR2
SCHEMBL8022273 0.92
SCHEMBL8022268 0.92
SCHEMBL8022272 0.92
SCHEMBL9008443 0.92
SCHEMBL8014703 0.91

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670322-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2000-01-19 EP disclosed
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
EP-0670322-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-09-06 EP disclosed