SCHEMBL28433809

SCHEMBL28433809

C=C(CCCN(CCCCC)CCCCC)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
ICMT O60725 2/20 0.39
ALB P02768 2/20 0.39
FAAH O00519 3/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
CES2 O00748 4/20 0.35
CES1 P23141 4/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOAT1 P35610 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1B1 P15121 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL9466183 0.94 KDM5A (0.41) KDM5APHF8KDM4CICMTALB
SCHEMBL25418558 0.91 ICMT (0.44) KDM5APHF8KDM4CICMTALB
SCHEMBL8602675 0.91 KDM5A (0.34) KDM5APHF8KDM4CICMTALB
SCHEMBL8605318 0.89 KDM5A (0.40) KDM5APHF8KDM4CICMTALB
SCHEMBL6160673 0.87 KDM5A (0.41) KDM5APHF8KDM4CICMTALB
SCHEMBL888049 0.85 NPSR1 (0.41) KDM5AKDM4CCYP1A2CYP2C19CA12
SCHEMBL1082359 0.84 CES2 (0.50) FAAHCES2CES1MEN1TP53
SCHEMBL1302899 0.83 PAOX (0.42) KDM5APHF8KDM4CALDH1A1
SCHEMBL1703821 0.83 KDM5A (0.46) KDM5APHF8KDM4CICMTALB
SCHEMBL10793425 0.82 CES2 (0.52) FAAHCES2CES1MEN1TP53

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-111432779-A Cosmetic composition for immediate wrinkle improvement and elasticity enhancement 株式会社LG生活健康 2020-07-17 CN disclosed