SCHEMBL4344742

SCHEMBL4344742

COc1cccc(C(OCC2CCC(CO)CC2)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
SLC6A12 P48065 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 1/20 0.33
PTGIR P43119 1/20 0.33
BACE1 P56817 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SLC6A1 P30531 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
SCHEMBL9064127 0.80 CHRNB4 (0.36) RIPK1ALDH1A1SLC6A1
SCHEMBL12613814 0.79 SLC6A11 (0.47) SLC6A12MEN1KMT2APTGIRSLC6A1
SCHEMBL8727530 0.76 MEN1 (0.43) MEN1KMT2AKDM4E
SCHEMBL8343315 0.76 CHRNB4 (0.33) SLC6A12BACE1ALDH1A1BCHEACHE
SCHEMBL6855484 0.75 SLC6A2 (0.32) CHRM2
SCHEMBL8343429 0.75 CHRNB4 (0.41) CHRM2CHRM1CHRM3BACE1KDM4E
SCHEMBL1260570 0.74 SMN1; SMN2 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6849987 0.74 SMN1; SMN2 (0.40) MEN1KMT2AKDM4EALDH1A1MAPT
Lithium SCHEMBL29904177 0.74 SMN1; SMN2 (0.41) KDM4EALDH1A1MAPTNFE2L2
SCHEMBL28799825 0.74 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTNFE2L2

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-2021351-A2 METHOD FOR THE SYNTHESIS OF TRIAZOLE-CONTAINING OLIGONUCLEOTIDE DERIVATIVES Centre National de la Recherche Scientifique (FR) 2009-02-11 EP disclosed
WO-2007125429-A2 METHOD FOR THE SYNTHESIS OF TRIAZOLE- CONTAINING OLIGONUCLEOTIDE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-11-08 WO disclosed