SCHEMBL9719939

SCHEMBL9719939

C[Si](C)([O])C#Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MTOR P42345 1/20 0.45
GRM5 P41594 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
THPO P40225 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3885779 0.80 APP (0.55) APPNPC1RAB9AMTORGRM5
SCHEMBL10606190 0.80 APP (0.55) APPNPC1RAB9AMTORGRM5
SCHEMBL563613 0.80 APP (0.55) APPNPC1RAB9AMTORGRM5
Diphenylacetylene SCHEMBL3842452 0.78 APP (0.60) APPNPC1RAB9AMTORGRM5
SCHEMBL9719941 0.76 APP (0.50) APPNPC1RAB9AMTORGRM5
SCHEMBL8992379 0.76 APP (0.50) APPNPC1RAB9AMTORGRM5
SCHEMBL712499 0.76 APP (0.57) APPNPC1RAB9AGRM5SMN1; SMN2
Acetic Acid SCHEMBL28180146 0.76 FFAR1 (0.46) APPNPC1RAB9AMTORGRM5
SCHEMBL6365168 0.74 APP (0.48) APPNPC1RAB9AMTORGRM5
SCHEMBL6255372 0.74 APP (0.48) APPNPC1RAB9AMTORGRM5

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
US-5081199-A Vinylsiloxane monomer and ethynylsiloxane monomer, storage sta bility, workability SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-01-14 US disclosed