SCHEMBL4795430

SCHEMBL4795430

CCC(CCC(N)=O)(OC(N)=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
KIF11 P52732 5/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD2 P14416 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNN4 O15554 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL27856324 0.86 MAPT (0.40) MAPTKMT2ACYP2C19HIF1ACYP2D6
SCHEMBL3083611 0.81 KMT2A (0.43) MAPTKMT2ACYP2C19HIF1ACYP2D6
SCHEMBL4055699 0.78 CYP2C19 (0.50) MAPTKMT2ACYP2C19HIF1ACYP2D6
SCHEMBL17064282 0.76 MAPT (0.44) MAPTKMT2ACYP2C19HIF1ACYP2D6
SCHEMBL5898545 0.74 MAPT (0.43) MAPTKMT2ACYP2C19HIF1ACYP2D6
SCHEMBL5365607 0.74 MAPT (0.46) MAPTKMT2ACYP2C19HIF1ACYP2D6
SCHEMBL23042785 0.73 MAPT (0.35) MAPTKMT2ACYP2C19HIF1ACYP2D6
SCHEMBL4058267 0.73 CYP2C19 (0.49) MAPTKMT2ACYP2C19HIF1ACYP2D6
SCHEMBL11249 0.73 MAPT (0.42) MAPTKMT2ACYP2C19HIF1ACYP2D6
SCHEMBL27654137 0.73 CYP2C19 (0.41) KMT2ACYP2C19HIF1ACYP2D6CYP1A2

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-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed