SCHEMBL7757129

SCHEMBL7757129

CC[Si@H]1CC[C@H](c2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
MAOB P27338 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALPL P05186 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
SCHEMBL7757127 1.00 PTGS2 (0.35) PTGS2PTGS1KDM1ARCOR1HTR1A
SCHEMBL7756330 0.87 PTGS2 (0.33) PTGS2PTGS1KDM1ARCOR1HTR1A
SCHEMBL7756333 0.87 PTGS2 (0.33) PTGS2PTGS1KDM1ARCOR1HTR1A
SCHEMBL7757557 0.84 CYP11B2 (0.36) KDM1ADRD2HTR2A
SCHEMBL7757563 0.84 CYP11B2 (0.36) KDM1ADRD2HTR2A
SCHEMBL7752952 0.83 SPHK1 (0.38) PTGS2PTGS1
SCHEMBL7752954 0.83 SPHK1 (0.38) PTGS2PTGS1
SCHEMBL7759925 0.83 CYP2C9 (0.41) KDM1ARCOR1
SCHEMBL8416897 0.83 CYP2C9 (0.41) KDM1ARCOR1
SCHEMBL7759927 0.83 CYP2C9 (0.41) KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696591-B1 Process for preparing silacyclohexane-based liquid crystal compounds SHINETSU CHEMICAL CO (JP) 2001-03-14 EP disclosed
EP-0673942-B1 Silacyclohexanone compounds as intermediates for the preparation of silacyclohexane-type liquid cristal compounds SHINETSU CHEMICAL CO (JP) 2000-11-08 EP disclosed
EP-0650969-B1 A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-05-26 EP disclosed
US-5659059-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5641431-A Silacyclohexanone compound and a method of preparing a silacyclohexane-type liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-06-24 US disclosed
US-5514824-A Process for preparing silacyclohexane-base liquid crystal compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-05-07 US disclosed
EP-0696591-A1 Process for preparing silacyclohexane-based liquid crystal compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-02-14 EP disclosed
EP-0673942-A1 Silacyclohexanone compounds as intermediates for the preparation of silacyclohexane-type liquid cristal compounds Shin-Etsu Chemical Co., Ltd. (JP) 1995-09-27 EP disclosed
EP-0650969-A1 A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-05-03 EP disclosed