SCHEMBL7766080

SCHEMBL7766080

CCCCC[Si@H]1CC[C@H](CCCC[C@H]2CC[C@H](c3ccc(C(F)(F)Cl)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
SPHK1 Q9NYA1 3/20 0.34
HTR2C P28335 2/20 0.33
CNR2 P34972 6/20 0.33
GAA P10253 1/20 0.33
ESR2 Q92731 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
SCHEMBL7766086 1.00 MAPT (0.38) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7759570 0.84 HTR2C (0.42) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7759567 0.84 HTR2C (0.42) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL9008487 0.84 HTR2C (0.42) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL8019251 0.84 HTR2C (0.42) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7769814 0.84 MEN1 (0.31) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7769816 0.84 MEN1 (0.31) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7769893 0.83 CACNA1G (0.37) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7769899 0.83 CACNA1G (0.37) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7769896 0.83 CACNA1G (0.37) MAPTALDH1A1LMNACYP2C9MEN1

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