SCHEMBL10487573

SCHEMBL10487573

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.58
CTSK P43235 8/20 0.55
CTSL P07711 5/20 0.55
CTSB P07858 5/20 0.55
CTSS P25774 5/20 0.55
LGMN Q99538 1/20 0.46
ATM Q13315 1/20 0.46
PIN1 Q13526 1/20 0.44
ELANE P08246 2/20 0.43
PRTN3 P24158 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL18359408 1.00 MEN1 (0.58) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL7325639 0.90 CTSL (0.57) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL10487540 0.88 MEN1 (0.63) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL13673300 0.87 CTSL (0.50) MEN1LMNAKMT2ACTSLCTSB
SCHEMBL10487768 0.85 MEN1 (0.60) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL8155357 0.84 CTSL (0.56) CTSKCTSLCTSBCTSSSIRT2
SCHEMBL1883119 0.81 PIN1 (0.51) MEN1LMNAKMT2APIN1
SCHEMBL10795035 0.80 CTSK (0.50) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL17807555 0.80 PIN1 (0.44) MEN1LMNAKMT2APIN1
SCHEMBL18368249 0.80 MEN1 (0.47) MEN1LMNAKMT2ACTSKCTSL

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-4820729-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-04-11 US disclosed