SCHEMBL10969151

SCHEMBL10969151

CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.56
CTSB P07858 3/20 0.56
CTSS P25774 3/20 0.56
CTSK P43235 2/20 0.56
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 6/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
CASP3 P42574 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL10969155 1.00 CTSL (0.56) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL10882861 0.92 CTSL (0.53) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL10882866 0.92 CTSL (0.53) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL10487546 0.86 CTSL (0.59) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL10658290 0.77 CTSK (0.59) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL10487598 0.76 CTSK (0.54) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL24734375 0.75 CTSL (0.71) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL5145628 0.75 CTSL (0.71) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL7264750 0.75 CTSL (0.71) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL8837344 0.75 CTSL (0.71) CTSLCTSBCTSSCTSKKMT2A

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
US-4558038-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORP. (US) 1985-12-10 US disclosed
US-4496542-A HYPOTENSIVE AGENTS; ENZYME INHIBITORS USV PHARMACEUTICAL CORPORATION (US) 1985-01-29 US disclosed
EP-0061768-A1 N-amido substituted dipeptides USV PHARMACEUTICAL CORPORATION (US) 1982-10-06 EP disclosed