SCHEMBL8122104

SCHEMBL8122104

COC(=O)[C@@H](C[C@H](C)NC(=O)OCc1ccccc1)N=C=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.48
CTSS P25774 7/20 0.48
CTSL P07711 6/20 0.48
CTSB P07858 4/20 0.48
KYNU Q16719 1/20 0.48
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45

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
SCHEMBL8921739 0.92 CTSK (0.49) CTSKCTSSCTSLCTSBATM
SCHEMBL8921733 0.92 CTSK (0.49) CTSKCTSSCTSLCTSBATM
SCHEMBL7422252 0.79 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL6841176 0.79 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL27926954 0.79 CTSK (0.67) CTSKCTSSCTSLCTSBATM
SCHEMBL10201895 0.78 MIF (0.46) CTSKCTSSCTSLKYNUKMT2A
SCHEMBL8609103 0.78 CTSK (0.46) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8609108 0.78 CTSK (0.46) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8119475 0.78 HTT (0.54) LMNA
SCHEMBL820965 0.76 MIF (0.56) ATMMEN1LMNAKMT2AALDH1A1

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
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed