SCHEMBL3969491

SCHEMBL3969491

COC(=O)C1COCC(N)C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
BRD4 O60885 1/20 0.33
GABRR1 P24046 1/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30
PPP1CC P36873 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
SCHEMBL3965988 0.79 CYP1A2 (0.39) CYP1A2HIF1ABRD4ALDH1A1PPM1B
SCHEMBL3972707 0.76 BLM (0.31) HIF1A
Hydrochloric Acid SCHEMBL3973493 0.75 BLM (0.30) HIF1A
SCHEMBL1566094 0.73 BRD4 (0.34) CYP1A2HIF1ABRD4MMP2ANPEP
SCHEMBL3970077 0.73 KMT2A (0.35) CYP1A2HIF1ABRD4GABRR1MMP2
SCHEMBL9127247 0.72 CYP1A2 (0.35) CYP1A2HIF1ABRD4MMP2ANPEP
SCHEMBL9049418 0.72 CYP1A2 (0.35) CYP1A2HIF1ABRD4MMP2ANPEP
SCHEMBL25761556 0.72 CYP1A2 (0.35) CYP1A2HIF1ABRD4MMP2ANPEP
SCHEMBL1617863 0.70 TLR4 (0.33) CYP1A2HIF1ABRD4ALDH1A1PPM1B
SCHEMBL4083564 0.69 CYP1A2 (0.41) CYP1A2HIF1ABRD4GABRR1MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed