SCHEMBL7071245

SCHEMBL7071245

C(#Cc1ccccc1-c1ccccc1C#Cc1ccccc1-c1ccccc1C#Cc1ccccc1-c1ccccc1Oc1ccccc1-c1ccccc1C#Cc1ccccc1-c1ccccc1C#Cc1ccccc1-c1ccccc1C#Cc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
HPGD P15428 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 1/20 0.46
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 1/20 0.41
FFAR1 O14842 5/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL5414561 1.00 MAPT (0.47) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL1666085 0.85 APP (0.63) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL3839249 0.84 MAPT (0.59) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL5872097 0.78 APP (0.48) MAPTCYP1A2APPCA12CA2
SCHEMBL2747316 0.76 MAPT (0.50) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL7061161 0.76 ALDH1A1 (0.66) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL31301286 0.75 FFAR1 (0.58) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL6940844 0.75 FFAR1 (0.58) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL23639130 0.74 MAPT (0.48) MAPTALDH1A1NPC1MEN1CYP1A2
SCHEMBL6742524 0.74 MAPT (0.53) MAPTALDH1A1NPC1MEN1CYP1A2

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-20030017635-A1 Low dielectric constant polyorganosilicon materials generated from polycarbosilanes HONEYWELL INTERNATIONAL INC. 2003-01-23 US disclosed