SCHEMBL8667435

SCHEMBL8667435

[SiH3]C(C#Cc1ccccc1)C#Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
GRM5 P41594 1/20 0.39
HTR2A P28223 1/20 0.39
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL3031415 0.74 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL18105076 0.74 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL19062293 0.74 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8728146 0.74 APP (0.55) APPMAPTCYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL29188592 0.73 APP (1.00) APPMAPTCYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL960609 0.73 APP (1.00) APPMAPTCYP1A2CYP3A4CYP2C9
Diphenylacetylene SCHEMBL68254 0.73 APP (1.00) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL14300755 0.72 APP (0.52) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4730312 0.72 HTR2A (0.57) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL13053106 0.70 APP (0.67) APPMAPTCYP1A2CYP3A4CYP2C9

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-0617073-B1 Poly(silyleneethynylene phenyleneethynylenes), method for preparing same and hardened product thereof MITSUI CHEMICALS INC (JP) 1998-12-09 EP disclosed
US-5420238-A Heat resistant MITSUI TOATSU CHEMICALS, INC. (JP) 1995-05-30 US disclosed
EP-0617073-A2 Poly(silyleneethynylene phenyleneethynylenes), method for preparing same and hardened product thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-09-28 EP disclosed