SCHEMBL7183857

SCHEMBL7183857

CO[Si](OC)(OC)c1ccccc1C#Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.46
APP P05067 1/20 0.44
RAB9A P51151 3/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GRM5 P41594 5/20 0.38
DHFR P00374 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
SCHEMBL7181669 0.89 APP (0.37) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL6437480 0.86 NPC1 (0.41) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL7191185 0.84 NPC1 (0.44) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL563466 0.79 NPC1 (0.50) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL6754426 0.78 APP (0.55) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL7185943 0.75 NPC1 (0.40) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
Benzene SCHEMBL28228276 0.75 CA4 (0.41) SMN1; SMN2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL6036840 0.75 TSHR (0.45) NPC1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL30264142 0.72 ALDH1A1 (0.41) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL332012 0.72 ALDH1A1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276807-A1 CURABLE SILICONE RESIN COMPOSITION AND REACTIVE SILICON COMPOUNDS Dow Corning Corporation (US) 2003-01-22 EP disclosed
WO-2001083608-A1 CURABLE SILICONE RESIN COMPOSITION AND REACTIVE SILICON COMPOUNDS DOW CORNING CORPORATION (US) 2001-11-08 WO disclosed