SCHEMBL29790952

SCHEMBL29790952

OC1(c2cccc(COC3CCCCO3)c2COC2CCCCO2)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
DHFR P00374 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL28953084 1.00 MEN1 (0.35) MEN1KMT2AKDM4COPRM1OPRD1
SCHEMBL29790992 0.93 MEN1 (0.34) MEN1KMT2AKDM4COPRM1OPRD1
SCHEMBL28840696 0.93 MEN1 (0.34) MEN1KMT2AKDM4COPRM1OPRD1
SCHEMBL15567864 0.85 CCNA2 (0.39) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL23662472 0.78 KDM4C (0.36) MEN1KMT2AKDM4COPRM1OPRD1
SCHEMBL18362480 0.77 KDM4C (0.38) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL30954728 0.75 MEN1 (0.34) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL31394154 0.75 MAP3K14 (0.36) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL8887331 0.74 KDM4C (0.41) MEN1KMT2AKDM4CEP300CREBBP
SCHEMBL31614896 0.73 KDM4C (0.34) MEN1KMT2AKDM4CEP300CREBBP

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
CN-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed