SCHEMBL9330771

SCHEMBL9330771

CCCCCCOc1ccc(-c2cnc(-c3ccc(OCCCC[Si](C)(C)CCCC)cc3)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 1/20 0.57
RARB P10826 3/20 0.51
MAPT P10636 1/20 0.51
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 4/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP19A1 P11511 3/20 0.46
NR5A1 Q13285 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL9331355 0.93 NPC1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9330980 0.93 NPC1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9331459 0.93 NPC1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9334449 0.90 NPC1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9331328 0.90 NPC1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9330768 0.90 NPC1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9184595 0.90 NPC1 (0.69) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9331380 0.89 RARB (0.48) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9331347 0.89 RARB (0.48) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9330812 0.89 RARB (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348684-A Organosilylalkyl or organosilylalkenyl compounds, process for preparing them and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
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