SCHEMBL7757740

SCHEMBL7757740

CCCCC[Si@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.35
ADRA1A P35348 1/20 0.33
HCRTR2 O43614 1/20 0.32
USP5 P45974 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SPHK2 Q9NRA0 7/20 0.31

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
SCHEMBL7757746 1.00 SPHK1 (0.35) SPHK1ADRA1AHCRTR2USP5HDAC6
SCHEMBL8029517 1.00 SPHK1 (0.35) SPHK1ADRA1AHCRTR2USP5HDAC6
SCHEMBL8029513 1.00 SPHK1 (0.35) SPHK1ADRA1AHCRTR2USP5HDAC6
SCHEMBL8030041 1.00 SPHK1 (0.35) SPHK1ADRA1AHCRTR2USP5HDAC6
SCHEMBL7757745 1.00 SPHK1 (0.35) SPHK1ADRA1AHCRTR2USP5HDAC6
SCHEMBL8440158 0.92 ADRA1A (0.35) SPHK1ADRA1AHCRTR2USP5HDAC6
SCHEMBL8440156 0.92 ADRA1A (0.35) SPHK1ADRA1AHCRTR2USP5HDAC6
SCHEMBL8084504 0.91 SPHK1 (0.37) SPHK1ADRA1AHTR2AHTR2CHTR2B
SCHEMBL8398619 0.91 USP5 (0.34) ADRA1AHCRTR2USP5HDAC6HTR2A
SCHEMBL8084502 0.91 SPHK1 (0.37) SPHK1ADRA1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718387-B1 A liquid crystal composition and a liquid crystal display element which contains it SHINETSU CHEMICAL CO (JP) 2001-03-14 EP disclosed
EP-0687678-B1 Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds 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-5951913-A Liquid crystal compositions comprising silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-09-14 US disclosed
EP-0630903-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-06-02 EP disclosed
US-5762826-A Liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-06-09 US disclosed
US-5693841-A Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-12-02 US disclosed
EP-0765880-A1 Process for preparing sil acyclohexane-based liquid crystal compounds from silacyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-02 EP disclosed
EP-0732335-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-09-18 EP disclosed
EP-0718387-A1 A liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-26 EP disclosed
EP-0713878-A1 A method of manufacturing a trans silacyclohexane compound Shin-Etsu Chemical Co., Ltd. (JP) 1996-05-29 EP disclosed
EP-0687678-A1 Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-12-20 EP disclosed