SCHEMBL8443069

SCHEMBL8443069

CCC[Si@H]1CC[C@H](c2ccc(-c3ccc(OCC)cc3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.38
FFAR1 O14842 1/20 0.38
CYP3A4 P08684 3/20 0.36
APP P05067 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HMOX1 P09601 1/20 0.35
FASN P49327 1/20 0.34
DHODH Q02127 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM1A O60341 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8443067 1.00 FFAR4 (0.38) FFAR4FFAR1CYP3A4APPCYP2C9
SCHEMBL8440138 0.92 FFAR4 (0.39) FFAR4FFAR1CYP3A4APPCYP2C9
SCHEMBL8440137 0.92 FFAR4 (0.39) FFAR4FFAR1CYP3A4APPCYP2C9
SCHEMBL8397327 0.87 CYP3A4 (0.39) FFAR4CYP3A4APPCYP2C9CYP2D6
SCHEMBL8397331 0.87 CYP3A4 (0.39) FFAR4CYP3A4APPCYP2C9CYP2D6
SCHEMBL7753084 0.87 GRM2 (0.40) FFAR4FFAR1CYP3A4APPCYP2C9
SCHEMBL7753078 0.87 GRM2 (0.40) FFAR4FFAR1CYP3A4APPCYP2C9
SCHEMBL7766371 0.83 RARB (0.37) FFAR4CYP3A4APPCYP2C9CYP2D6
SCHEMBL7766367 0.83 RARB (0.37) FFAR4CYP3A4APPCYP2C9CYP2D6
SCHEMBL8441424 0.82 CYP3A4 (0.34) CYP3A4APPCYP2C9CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5951913-A Liquid crystal compositions comprising silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-09-14 US disclosed