SCHEMBL8021447

SCHEMBL8021447

CCCCC[Si@H]1CC[C@H](CCc2ccc(-c3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.42
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
GCGR P47871 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE5A O76074 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ESR2 Q92731 1/20 0.32
S1PR1 P21453 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8021444 1.00 RARB (0.42) RARBRARARARGCYP17A1CYP11B1
SCHEMBL7766389 1.00 RARB (0.42) RARBRARARARGCYP17A1CYP11B1
SCHEMBL7766387 1.00 RARB (0.42) RARBRARARARGCYP17A1CYP11B1
SCHEMBL7766408 0.95 RARB (0.39) RARBRARARARGCYP17A1CYP11B1
SCHEMBL7766403 0.95 RARB (0.39) RARBRARARARGCYP17A1CYP11B1
SCHEMBL7759062 0.93 RARB (0.39) RARBRARARARGCYP17A1CYP11B1
SCHEMBL8017804 0.93 RARB (0.39) RARBRARARARGCYP17A1CYP11B1
SCHEMBL8017802 0.93 RARB (0.39) RARBRARARARGCYP17A1CYP11B1
SCHEMBL8021369 0.92 CYP17A1 (0.37) RARBRARARARGCYP17A1CYP11B1
SCHEMBL8021366 0.92 CYP17A1 (0.37) RARBRARARARGCYP17A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668286-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2000-12-20 EP disclosed
EP-0682031-B1 Silacyclohexane-based carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound SHINETSU CHEMICAL CO (JP) 2000-03-22 EP disclosed
EP-0713878-B1 A method of manufacturing a trans silacyclohexane compound SHINETSU CHEMICAL CO (JP) 2000-02-16 EP disclosed
US-5560866-A Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-10-01 US disclosed
US-5527490-A Silacyclohexane carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-18 US disclosed
US-5523440-A Silacyclohexane compound, a method of preparaing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-04 US disclosed
US-5523439-A Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-04 US disclosed
EP-0713878-A1 A method of manufacturing a trans silacyclohexane compound Shin-Etsu Chemical Co., Ltd. (JP) 1996-05-29 EP disclosed
EP-0696592-A1 Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-02-14 EP disclosed
EP-0688776-A2 Process for preparing silacyclo-hexane compounds Shin-Etsu Chemical Co., Ltd. (JP) 1995-12-27 EP disclosed
EP-0668286-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-08-23 EP disclosed