SCHEMBL22894068

SCHEMBL22894068

C=C(CCCCCCCCCC)CCCCCCCN(CC)CCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.45
KDM4C Q9H3R0 2/20 0.45
KCNH2 Q12809 5/20 0.44
MGLL Q99685 1/20 0.41
PHF8 Q9UPP1 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
DNM1 Q05193 3/20 0.39
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
PAOX Q6QHF9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
GPR84 Q9NQS5 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
SCHEMBL25695763 0.93 KDM5A (0.41) KDM5AKDM4CKCNH2MGLLPHF8
SCHEMBL27384175 0.88 KDM5A (0.39) KDM5AKDM4CKCNH2MGLLPHF8
SCHEMBL22585241 0.88 KDM5A (0.45) KDM5AKDM4CMGLLPHF8CA12
SCHEMBL24113609 0.84 KDM5A (0.42) KDM5AKDM4CMGLLPHF8CA12
SCHEMBL24696839 0.84 KDM5A (0.39) KDM5AKDM4CKCNH2PHF8PAOX
SCHEMBL24113607 0.84 KDM5A (0.42) KDM5AKDM4CMGLLPHF8CA12
SCHEMBL24444640 0.83 KDM5A (0.45) KDM5AKDM4CPHF8CES2CES1
SCHEMBL20854575 0.82 CES2 (0.52) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL20854578 0.82 CES2 (0.52) CES2CES1ALDH1A1TSHRSLC22A6
SCHEMBL25341537 0.82 KCNH2 (0.57) KCNH2MGLLDNM1PLA2G1BPLA2G2A

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
WO-2021007278-A1 IMPROVED MRNA-LOADED LIPID NANOPARTICLES AND PROCESSES OF MAKING THE SAME TRANSLATE BIO, INC. (US) 2021-01-14 WO disclosed