SCHEMBL15469239

SCHEMBL15469239

C[SiH](C)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.57
MAPT P10636 2/20 0.50
KCNH2 Q12809 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GRM5 P41594 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
FFAR1 O14842 5/20 0.41
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL2114741 0.79 APP (0.92) APPMAPTKCNH2CA12CA1
SCHEMBL10331893 0.78 CYP1A1 (0.48) APPMAPTCYP1A2CYP1A1CYP1B1
SCHEMBL55166 0.76
Diphenylacetylene SCHEMBL68254 0.76 APP (1.00) APPMAPTKCNH2CA12CA1
Diphenylacetylene SCHEMBL960609 0.76 APP (1.00) APPMAPTKCNH2CA12CA1
Diphenylacetylene SCHEMBL29188592 0.76 APP (1.00) APPMAPTKCNH2CA12CA1
Diphenylacetylene SCHEMBL23754283 0.73 APP (0.80) APPMAPTKCNH2CA12CA1
SCHEMBL14875991 0.73 TSHR (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL3796509 0.73 APP (0.80) APPMAPTKCNH2CA12CA1
Hydrochloric Acid SCHEMBL11803910 0.73 TSHR (0.37) MAPTCA12CA1CA2CA9

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
US-20140046084-A1 Siloxane Compound and Cured Product Thereof CENTRAL GLASS COMPANY, LIMITED (JP) 2014-02-13 US disclosed
US-20140046014-A1 SILOXANE COMPOUND AND CURED PRODUCT THEREOF CENTRAL GLASS COMPANY, LIMITED (JP) 2014-02-13 US disclosed