SCHEMBL10425083

SCHEMBL10425083

CCCC[C@H](N)C(=O)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
AKT1 P31749 2/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL1737432 0.85 AKT1 (0.42) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL10423904 0.85 AKT1 (0.41) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL1737441 0.83 HDAC3 (0.42) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL268899 0.83 BCHE (0.43)
SCHEMBL10423913 0.80 AKT1 (0.42) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL10772982 0.79 CTSK (0.39) CTSK
SCHEMBL3819098 0.79 AKT1 (0.52) HDAC3HDAC1HDAC2NCOR2AKT1
SCHEMBL8083713 0.79 CTSK (0.43) CTSK
SCHEMBL15259724 0.76 SLC15A1 (0.44)
SCHEMBL8199047 0.76 HDAC3 (0.49) HDAC3HDAC1HDAC2NCOR2AKT1

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
US-4918105-A Novel compounds with collagenase-inhibiting activity, a process for their preparation and pharmaceutical compositions in which these compounds are present SA LABORATOIRE ROGER BELLON (FR) 1990-04-17 US disclosed