SCHEMBL10423905

SCHEMBL10423905

CSCC[C@@H](C(N)=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
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 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
KLK7 P49862 1/20 0.37
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCKBR P32239 1/20 0.36
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL11599332 0.86 L3MBTL1 (0.40) AKT1ALDH1A1LMNAHSD17B10MEN1
Hydrochloric Acid SCHEMBL11597784 0.85 L3MBTL1 (0.40) AKT1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL4322599 0.82 L3MBTL1 (0.46) AKT1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL4318450 0.82 L3MBTL1 (0.46) AKT1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL11418387 0.80 FNTA (0.44) AKT1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL5967875 0.78 L3MBTL1 (0.45) AKT1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL11598951 0.78 CCKBR (0.46) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL7310468 0.77 NPC1 (0.41) ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL7320870 0.77 MEN1 (0.50) AKT1ALDH1A1LMNAHSD17B10MEN1
SCHEMBL10423904 0.77 AKT1 (0.41) AKT1ALDH1A1LMNAHSD17B10MEN1

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