SCHEMBL9330799

SCHEMBL9330799

CCCC[C@@H]1O[C@H]1COc1ccc(-c2ncc(OCCCC[Si](C)(C)CCCC)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.38
CYP2C9 P11712 8/20 0.38
CYP2C19 P33261 8/20 0.38
CYP2D6 P10635 8/20 0.38
CYP19A1 P11511 7/20 0.38
CYP3A4 P08684 5/20 0.38
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 3/20 0.36
LMNA P02545 1/20 0.35
RARB P10826 2/20 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
SCHEMBL10000265 0.91 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7878933 0.90 NPC1 (0.50) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10000263 0.90 RAB9A (0.50) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7883604 0.87 RAB9A (0.48) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7883613 0.87 RAB9A (0.48) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7872538 0.87 RAB9A (0.48) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9228238 0.86 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7877167 0.86 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9405519 0.85 NPC1 (0.50) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7505484 0.85 NPC1 (0.45) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355008-B1 Organosilylalkyl or -alkenyl compounds, process for their preparation and their use in liquid-crystal mixtures HOECHST AG (DE) 1994-04-13 EP disclosed
EP-0355008-A2 Organosilylalkyl or -alkenyl compounds, process for their preparation and their use in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-21 EP disclosed