SCHEMBL10423904

SCHEMBL10423904

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
KLK7 P49862 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
SLC7A5 Q01650 1/20 0.38
KLK5 Q9Y337 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 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
SCHEMBL10425083 0.85 CTSK (0.44) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1737432 0.84 AKT1 (0.42) AKT1ALDH1A1LMNAHSD17B10HDAC3
SCHEMBL1737441 0.82 HDAC3 (0.42) AKT1TSHRHDAC3HDAC1HDAC2
SCHEMBL10423913 0.79 AKT1 (0.42) AKT1MEN1ALDH1A1LMNAKMT2A
SCHEMBL3819098 0.78 AKT1 (0.52) AKT1MEN1LMNAKMT2AHDAC3
SCHEMBL268899 0.78 BCHE (0.43) MEN1ALDH1A1KMT2A
SCHEMBL7310455 0.77 HPGD (0.52) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL10423905 0.77 AKT1 (0.41) AKT1MEN1ALDH1A1LMNATSHR
SCHEMBL30744052 0.74 CTSS (0.36) ALDH1A1HSD17B10
SCHEMBL29147407 0.74 CTSS (0.36) ALDH1A1HSD17B10

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