SCHEMBL8399185

SCHEMBL8399185

COCCC[SiH]1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.34
HCRTR2 O43614 3/20 0.33
USP5 P45974 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM1A O60341 1/20 0.31
ADRA1D P25100 3/20 0.31
ADRA1B P35368 3/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL8399179 1.00 ADRA1A (0.34) ADRA1AHCRTR2USP5TLR9TLR8
SCHEMBL8399190 1.00 ADRA1A (0.34) ADRA1AHCRTR2USP5TLR9TLR8
SCHEMBL8399181 1.00 ADRA1A (0.34) ADRA1AHCRTR2USP5TLR9TLR8
SCHEMBL8395151 0.90 SLC6A4 (0.36) TLR9TLR8TLR7
SCHEMBL8395150 0.90 SLC6A4 (0.36) TLR9TLR8TLR7
SCHEMBL8418729 0.88 OPRL1 (0.33) ADRA1AHCRTR2TLR9TLR8TLR7
SCHEMBL8418731 0.88 OPRL1 (0.33) ADRA1AHCRTR2TLR9TLR8TLR7
SCHEMBL7757745 0.85 SPHK1 (0.35) ADRA1AHCRTR2USP5HDAC6HTR2A
SCHEMBL7757746 0.85 SPHK1 (0.35) ADRA1AHCRTR2USP5HDAC6HTR2A
SCHEMBL8029517 0.85 SPHK1 (0.35) ADRA1AHCRTR2USP5HDAC6HTR2A

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-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-5454977-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-10-03 US disclosed
EP-0630903-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1994-12-28 EP disclosed