SCHEMBL28830544

SCHEMBL28830544

CC(C)(C)Oc1ccccc1C#Cc1ccccc1.[SiH4]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FFAR1 O14842 3/20 0.45
APP P05067 1/20 0.43
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
GRM5 P41594 2/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL2774016 0.81 FFAR1 (0.60) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL27367665 0.80 FFAR1 (0.63) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL3839249 0.77 MAPT (0.59) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL18494372 0.73 MAPT (0.55) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL6222483 0.73 KCNH2 (0.34) NPC1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2154632 0.73 GAA (0.50) NPC1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9355648 0.73 MAPT (0.50) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL6742524 0.72 MAPT (0.53) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL14958068 0.71 KCNH2 (0.49) MAPTNPC1MEN1KMT2AKDM4E
SCHEMBL28353254 0.71 FFAR1 (0.55) MAPTNPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103917590-B Rubber combination and studless tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-06-01 CN disclosed