SCHEMBL7757062

SCHEMBL7757062

CCC[SiH]1CCC(c2ccc(OC(=O)c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
PARP10 Q53GL7 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 3/20 0.36
PARP14 Q460N5 1/20 0.36
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL7757066 1.00 KMT2A (0.40) KMT2AMEN1PARP10MAPTALDH1A1
SCHEMBL7755692 0.92 NPC1 (0.40) KMT2AMEN1PARP10MAPTALDH1A1
SCHEMBL7755688 0.92 NPC1 (0.40) KMT2AMEN1PARP10MAPTALDH1A1
SCHEMBL7754699 0.89 MAPT (0.50) KMT2AMAPTALDH1A1SMN1; SMN2CYP2C9
SCHEMBL7754704 0.89 MAPT (0.50) KMT2AMAPTALDH1A1SMN1; SMN2CYP2C9
SCHEMBL7754663 0.89 KDM2B (0.41) MAPTALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL7754667 0.89 KDM2B (0.41) MAPTALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL7751078 0.89 KDM2B (0.41) MAPTALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL7751072 0.89 KDM2B (0.41) MAPTALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL7755541 0.88 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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-0708107-B1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHINETSU CHEMICAL CO (JP) 2001-02-28 EP disclosed
US-5624601-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0708107-A1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-04-24 EP disclosed