SCHEMBL7376903

SCHEMBL7376903

CCC(C(=O)N[C@H](C)C(=O)NO)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
HDAC3 O15379 4/20 0.55
HDAC4 P56524 4/20 0.55
HDAC1 Q13547 4/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
KCNQ2 O43526 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.50

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
SCHEMBL6744385 1.00 CRHBP (0.55) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL6741448 1.00 CRHBP (0.55) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL6744388 1.00 CRHBP (0.55) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL2842510 0.87 HDAC3 (0.63) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL6744964 0.79 POLB (0.51) CRHBPCRHR2ALDH1A1POLBKCNQ2
SCHEMBL6741666 0.79 POLB (0.51) CRHBPCRHR2ALDH1A1POLBKCNQ2
SCHEMBL6744969 0.79 POLB (0.51) CRHBPCRHR2ALDH1A1POLBKCNQ2
SCHEMBL18664382 0.78 KCNQ2 (0.62) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL31565761 0.78 MEN1 (0.61) CRHBPCRHR2HDAC3HDAC4HDAC1
SCHEMBL12421173 0.77 CRHBP (0.54) CRHBPCRHR2HDAC3HDAC4HDAC1

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
JP-2002541138-A 2002-12-03 JP claimed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP claimed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO claimed