SCHEMBL7418995

SCHEMBL7418995

CCN(CC)C(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.51
CTSB P07858 5/20 0.51
PSMB1 P20618 1/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
REN P00797 1/20 0.47
TACR1 P25103 2/20 0.47
CAPN1 P07384 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL7424726 0.93 CTSL (0.50) CTSLCTSBPSMB1CTSSCTSK
SCHEMBL7417704 0.84 PSMB1 (0.60) CTSLCTSBPSMB1CTSSCTSK
SCHEMBL7384058 0.84 PSMB1 (0.60) CTSLCTSBPSMB1CTSSCTSK
SCHEMBL7417082 0.84 CTSK (0.51) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL8951282 0.82 CAPN1 (0.66) CTSLCTSBPSMB1CTSSCTSK
SCHEMBL7414045 0.81 CTSK (0.51) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7418088 0.80 TRPM8 (0.61) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7430937 0.80 TRPM8 (0.61) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7414480 0.80 TRPM8 (0.61) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6350990 0.80 TRPM8 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed