SCHEMBL10423913

SCHEMBL10423913

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
HPGD P15428 1/20 0.40
SLC7A5 Q01650 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC15A1 P46059 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL10424675 0.87 L3MBTL1 (0.40) AKT1HDAC1SLC7A5CTSSL3MBTL1
SCHEMBL8897263 0.86 LMNA (0.45) CHRNB2CHRNA4ALDH1A1LMNA
SCHEMBL1737432 0.84 AKT1 (0.42) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL3819098 0.83 AKT1 (0.52) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1737441 0.82 HDAC3 (0.42) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL10425083 0.80 CTSK (0.44) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL17848997 0.80 CTSL (0.45) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL10423904 0.79 AKT1 (0.41) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL8771961 0.79 FDPS (0.36) L3MBTL1SLC15A1ALDH1A1
SCHEMBL22361797 0.79 AKT1 (0.50) AKT1HDAC3HDAC1HDAC2NCOR2

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