SCHEMBL9412784

SCHEMBL9412784

COC(=O)[C@H](CCC(N)=O)NC(=O)CC1OC1C(Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.52
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
REN P00797 2/20 0.40
CTSL P07711 1/20 0.40
PSMB5 P28074 2/20 0.39
PTPN1 P18031 2/20 0.39
CTSB P07858 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
POLB P06746 1/20 0.37
YAP1 P46937 2/20 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
SCHEMBL8800318 0.88 CTSD (0.52) CTSDRENCTSLCTSB
SCHEMBL8801156 0.83 CTSD (0.77) CTSDALDH1A1LMNAREN
SCHEMBL8665786 0.83 CTSD (0.48) CTSDMEN1ALDH1A1LMNAKMT2A
SCHEMBL8801460 0.82 CTSD (0.52) CTSDRENCTSLCTSB
SCHEMBL8801420 0.75 CTSD (0.78) CTSDALDH1A1LMNARENCTSL
SCHEMBL9190618 0.72 CTSD (0.54) CTSDMEN1LMNAKMT2AREN
SCHEMBL8801929 0.72 CTSD (0.82) CTSDALDH1A1LMNARENCTSL
SCHEMBL10744547 0.72 ALDH1A1 (0.67) MEN1ALDH1A1LMNAKMT2ACTSL
SCHEMBL7298678 0.70 MME (0.53) CTSLCTSB
SCHEMBL8664364 0.70 CTSD (0.49) CTSDCTSLCTSB

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-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP claimed