SCHEMBL8516496

SCHEMBL8516496

C=C([C]=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.49
CTSS P25774 5/20 0.47
CTSK P43235 5/20 0.47
CTSB P07858 3/20 0.47
REN P00797 1/20 0.41
ACE P12821 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
P4HB P07237 1/20 0.41
AKT1 P31749 1/20 0.41

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
SCHEMBL7357815 0.90 CTSL (0.51) CTSLCTSSCTSKCTSBREN
SCHEMBL7354760 0.84 CTSK (0.53) CTSLCTSSCTSKCTSBPPARG
SCHEMBL3821796 0.80 PPARA (0.60) CTSLCTSSCTSKCTSBREN
SCHEMBL6808534 0.77 REN (0.63) CTSLCTSSCTSKCTSBREN
SCHEMBL6808536 0.77 REN (0.63) CTSLCTSSCTSKCTSBREN
SCHEMBL18830579 0.76 CTSS (0.61) CTSLCTSSCTSKCTSBPPARG
SCHEMBL23734346 0.75 CTSS (0.65) CTSLCTSSCTSKCTSBREN
SCHEMBL3008254 0.75 HDAC8 (0.59) CTSLCTSSCTSKCTSBACE
SCHEMBL3008259 0.75 HDAC8 (0.59) CTSLCTSSCTSKCTSBACE
SCHEMBL1196169 0.74 MAPT (0.59) CTSLCTSSCTSKCTSBACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP disclosed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP disclosed