SCHEMBL30933779

SCHEMBL30933779

CCOc1ccc(Cl)cc1CNCC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
ANO1 Q5XXA6 2/20 0.43
BCHE P06276 3/20 0.43
HTR6 P50406 3/20 0.43
AHCY P23526 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
STS P08842 3/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL30933725 1.00 MAPK8 (0.46) MAPK8CYP1A2CYP2D6ANO1BCHE
SCHEMBL30933760 1.00 MAPK8 (0.46) MAPK8CYP1A2CYP2D6ANO1BCHE
SCHEMBL30933838 0.94 KDM4E (0.48) MAPK8CYP1A2CYP2D6HTR6KMT2A
SCHEMBL30933746 0.93 HTR6 (0.45) MAPK8ANO1BCHEHTR6KMT2A
SCHEMBL30933826 0.92 MAPK8 (0.46) MAPK8ANO1BCHEHTR6KDM4E
SCHEMBL30933771 0.87 PKM (0.47) MAPK8HTR6KDM4EPKMALDH1A1
SCHEMBL30933793 0.87 KDM4E (0.48) MAPK8HTR6KMT2AKDM4EPKM
SCHEMBL30933805 0.86 AHCY (0.48) MAPK8CYP1A2CYP2D6ANO1AHCY
SCHEMBL4329719 0.85 ALDH1A1 (0.56) MAPK8KMT2AKDM4EPKMIDO1
SCHEMBL30933770 0.85 KDM4E (0.47) MAPK8HTR6KDM4EPKMALDH1A1

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-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed