SCHEMBL7971567

SCHEMBL7971567

C[Si](C)(C)C#Cc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccccc1)C=C3

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7971753 0.83 HTT (0.36) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL7973654 0.83 KDM4E (0.32) CYP1A1CYP1A2CYP1B1HTTSMN1; SMN2
SCHEMBL7976556 0.81 FFAR1 (0.33) CYP1A1CYP1A2CYP1B1HTTSMN1; SMN2
SCHEMBL7976608 0.81 KDM4E (0.30) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL30284250 0.77 SIRT2 (0.38) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL4253743 0.77 APP (0.37) CYP1A2HTTSMN1; SMN2KDM4EMEN1
SCHEMBL7263829 0.77 SIRT2 (0.38) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL5264237 0.76 CYP1A2 (0.41) CYP1A2HTTSMN1; SMN2KDM4EMEN1
SCHEMBL361847 0.76 KDM4E (0.50) CYP1A2CYP1B1HTTSMN1; SMN2KDM4E
SCHEMBL30284405 0.76 KDM4E (0.50) CYP1A2CYP1B1HTTSMN1; SMN2KDM4E

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-6281366-B1 RADIATION TRANSPARENT ARTICLES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-08-28 US disclosed