SCHEMBL4965672

SCHEMBL4965672

O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
TACR1 P25103 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CAPN1 P07384 1/20 0.45
CTRB1 P17538 2/20 0.44
MAPK1 P28482 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL18224217 0.86 CTSL (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL11239042 0.86 CTSL (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16485550 0.86 CTSL (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL31650945 0.86 ACE (0.56) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7293242 0.86 TACR1 (0.60) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7293246 0.86 TACR1 (0.60) CTSLCTSBCTSSCTSKTACR1
SCHEMBL330061 0.83 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL5486969 0.83 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8976911 0.83 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL23629869 0.82 CTSL (0.58) CTSLCTSBCTSSCTSKTACR1

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-0804558-B1 TRIPEPTIDYL AMINOPEPTIDASE NOVOZYMES AS (DK) 2008-01-23 EP disclosed
WO-1994025581-A1 MODIFIED RECOMBINANT TISSUE PLASMINOGEN ACTIVATOR SOUTHERN SYDNEY AREA HEALTH SERVICE (AU) 1994-11-10 WO disclosed