SCHEMBL7761395

SCHEMBL7761395

CCC[SiH]1CCC([C@H]2CC[C@H](COc3ccc(Cl)c(C)c3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
PDE2A O00408 2/20 0.36
PTGER2 P43116 2/20 0.35
PTGIR P43119 1/20 0.35
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
SENP2 Q9HC62 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7761404 1.00 MCL1 (0.39) MCL1KMT2ANPC1MEN1SMN1; SMN2
SCHEMBL7761399 1.00 MCL1 (0.39) MCL1KMT2ANPC1MEN1SMN1; SMN2
SCHEMBL7757353 0.87 TRPV4 (0.38) PDE2APARP15PARP10
SCHEMBL7757350 0.87 TRPV4 (0.38) PDE2APARP15PARP10
SCHEMBL7757347 0.87 TRPV4 (0.38) PDE2APARP15PARP10
SCHEMBL7760358 0.84 TP53 (0.39) MCL1KMT2ANPC1MEN1SMN1; SMN2
SCHEMBL7760360 0.84 TP53 (0.39) MCL1KMT2ANPC1MEN1SMN1; SMN2
SCHEMBL7761418 0.81 PARP10 (0.40) PARP15PARP10
SCHEMBL7761415 0.81 PARP10 (0.40) PARP15PARP10
SCHEMBL7761412 0.81 PARP10 (0.40) PARP15PARP10

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-0714899-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-04-18 EP disclosed
US-5641430-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-06-24 US disclosed
EP-0714899-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) 1996-06-05 EP disclosed