SCHEMBL6437480

SCHEMBL6437480

CO[Si](OC)(OC)c1cccc(C#Cc2ccccc2)c1[Si](OC)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APP P05067 1/20 0.39
DHFR P00374 1/20 0.37
GRM5 P41594 5/20 0.37
RAB9A P51151 4/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL7183857 0.86 NPC1 (0.46) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL7185943 0.79 NPC1 (0.40) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL7181669 0.77 APP (0.37) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL7191185 0.75 NPC1 (0.44) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL1639805 0.74 KDM4E (0.31) SMN1; SMN2KDM4EALDH1A1
Benzene SCHEMBL28228276 0.70 CA4 (0.41) SMN1; SMN2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL563466 0.70 NPC1 (0.50) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL6036840 0.70 TSHR (0.45) NPC1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1109640 0.69 PDCD1 (0.34) NPC1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6754426 0.69 APP (0.55) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1

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
EP-1276807-B1 CURABLE SILICONE RESIN COMPOSITION AND REACTIVE SILICON COMPOUNDS DOW CORNING (US) 2005-10-12 EP disclosed