SCHEMBL7765296

SCHEMBL7765296

CCC[SiH]1CCC(CCCC[C@H]2CC[C@H](c3ccc(OCCCCl)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
PPARG P37231 3/20 0.32
PPARA Q07869 2/20 0.32
HPGD P15428 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
SCN9A Q15858 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
SCHEMBL7765301 1.00 KDM1A (0.35) KDM1APPARGPPARAHPGDTLR9
SCHEMBL7765306 1.00 KDM1A (0.35) KDM1APPARGPPARAHPGDTLR9
SCHEMBL7767626 0.90 KDM1A (0.34) KDM1AHPGDTLR9TLR8TLR7
SCHEMBL7767631 0.90 KDM1A (0.34) KDM1AHPGDTLR9TLR8TLR7
SCHEMBL7767628 0.90 KDM1A (0.34) KDM1AHPGDTLR9TLR8TLR7
SCHEMBL7767178 0.87 KDM1A (0.34) KDM1ACYP2C9TDP1
SCHEMBL7767175 0.87 KDM1A (0.34) KDM1ACYP2C9TDP1
SCHEMBL7767172 0.87 KDM1A (0.34) KDM1ACYP2C9TDP1
SCHEMBL7765429 0.86 KDM1A (0.31) KDM1ACYP2C9
SCHEMBL7765427 0.86 KDM1A (0.31) KDM1ACYP2C9

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-0727428-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-06-06 EP disclosed
US-5665271-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
EP-0727428-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-21 EP disclosed