SCHEMBL10979752

SCHEMBL10979752

CSCC[C@@H](N)C(=O)NC[C]=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.43
FNTA P49354 6/20 0.42
FNTB P49356 6/20 0.42
PGGT1B P53609 5/20 0.42
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
RNPEP Q9H4A4 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
DPP7 Q9UHL4 2/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
RRM1 P23921 1/20 0.36
MMP2 P08253 1/20 0.35

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
SCHEMBL10607116 1.00 CTSC (0.43) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL10607119 1.00 CTSC (0.43) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL538055 0.82 ALDH1A1 (0.44) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL538056 0.82 ALDH1A1 (0.44) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL12257898 0.81 CTSC (0.45) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL12341594 0.81 CTSC (0.45) CTSCFNTAFNTBPGGT1BARG1
Hydrochloric Acid SCHEMBL28446971 0.81 ALDH1A1 (0.43) CTSCFNTAFNTBPGGT1BARG1
Hydrochloric Acid SCHEMBL28446972 0.81 ALDH1A1 (0.43) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL25328642 0.80 CTSC (0.44) CTSCFNTAFNTBPGGT1BARG1
SCHEMBL8215166 0.79 FNTA (0.49) CTSCFNTAFNTBPGGT1BARG1

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
US-4530837-A Containing tryptophan COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1985-07-23 US disclosed