SCHEMBL7385247

SCHEMBL7385247

CC(CC(N)=O)(C(N)=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
HTT P42858 1/20 0.43
KCNN4 O15554 7/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41
KIF11 P52732 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL1024478 0.82 MAPT (0.59) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL2030597 0.82 MAPT (0.59) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL27815326 0.82 MAPT (0.59) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL15397577 0.82 MAPT (0.59) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL2813766 0.80 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL362442 0.80 KMT2A (0.55) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL3847258 0.80 MAPT (0.56) MAPTKMT2AKCNH2CYP3A4
SCHEMBL2845811 0.79 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL528412 0.79 KMT2A (0.55) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL5084151 0.78 KMT2A (0.53) MAPTKMT2ACYP2C19HIF1AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1268117-A Novel inhibitors of aggrecanase and matrix metalloproteinases for the treatment of arthritis DU PONT PHARM CO (US) 2000-09-27 CN claimed
EP-1005448-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS Du Pont Pharmaceuticals Company (US) 2000-06-07 EP claimed
WO-1999009000-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 WO claimed