SCHEMBL9153129

SCHEMBL9153129

NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.55
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
TACR1 P25103 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PTPN1 P18031 1/20 0.51
CTRB1 P17538 2/20 0.50
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL6371492 1.00 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6372162 0.95 CTSL (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9099732 0.95 OPRD1 (0.53) CTSLCTSBCTSSCTSKPTPN1
SCHEMBL9099746 0.95 OPRD1 (0.53) CTSLCTSBCTSSCTSKPTPN1
Phenylalanine SCHEMBL6372662 0.90 CTSL (0.49) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL330061 0.90 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL5486969 0.90 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8976911 0.90 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16485550 0.87 CTSL (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9491221 0.87 ATM (0.59) CTSLCTSBCTSSCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7075570-A None JP disclosed
JP-H0775570-A NOVEL METALLOEND PEPTIDASE F, ITS PRODUCTION AND MEDICINE CONTAINING THE SAME AS ACTIVE COMPONENT FUJISAKI SHIGEMI 1995-03-20 JP disclosed
JP-H00775570-A 0001-01-01 JP disclosed