SCHEMBL10759529

SCHEMBL10759529

CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.64
▸ CTSK P43235 1/20 0.64
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ ITGB1 P05556 1/20 0.51
▸ ITGA4 P13612 1/20 0.51
▸ PSMB8 P28062 2/20 0.50
▸ GNPAT O15228 1/20 0.50
▸ PSMB11 A5LHX3 1/20 0.50
▸ PSMD11 O00231 1/20 0.50
▸ PSMD12 O00232 1/20 0.50
▸ PSMD14 O00487 1/20 0.50
▸ PSMA7 O14818 1/20 0.50
▸ PSMD3 O43242 1/20 0.50
▸ PSMC3 P17980 1/20 0.50
▸ PSMB1 P20618 1/20 0.50
▸ PSMA1 P25786 1/20 0.50
▸ PSMA2 P25787 1/20 0.50
▸ PSMA3 P25788 1/20 0.50
▸ PSMA4 P25789 1/20 0.50

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
SCHEMBL22927776 0.86 CTSS (0.67) CTSSCTSKCTSLCTSBGNPAT
SCHEMBL14476767 0.85 CTSS (0.65) CTSSCTSKCTSLCTSBGNPAT
SCHEMBL10695717 0.83 CTSS (0.62) CTSSCTSKGNPATOPRD1OPRM1
SCHEMBL29434528 0.81 CTSS (0.60) CTSSCTSKGNPATPAMOPRD1
SCHEMBL14113860 0.80 CTSS (0.74) CTSSCTSKCTSLCTSBGNPAT
SCHEMBL23376600 0.80 CTSS (0.68) CTSSCTSKGNPATPAMTACR1
SCHEMBL13956933 0.80 CTSS (0.68) CTSSCTSKGNPATPAMTACR1
SCHEMBL8441334 0.80 CTSS (0.68) CTSSCTSKCTSLCTSBGNPAT
SCHEMBL10800036 0.79 CTSS (0.76) CTSSCTSKCTSLCTSBGNPAT
SCHEMBL10800041 0.79 CTSS (0.76) CTSSCTSKCTSLCTSBGNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4642205-A Diastereomer salts of phenylalanine and N-acyl derivatives thereof and process for the separation of optically active phenylalanine and N-acyl derivatives thereof ALKALOIDA VEGYESZETI GYAR (HU) 1987-02-10 — — US claimed
EP-0174358-A1 NOVEL DIASTEREOMER SALTS OF PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF AND PROCESS FOR THE SEPARATION OF OPTICALLY ACTIVE PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF ALKALOIDA VEGYéSZETI GYáR (HU) 1986-03-19 — — EP claimed
WO-1985003932-A1 NOVEL DIASTEREOMER SALTS OF PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF AND PROCESS FOR THE SEPARATION OF OPTICALLY ACTIVE PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF ALKALOIDA VEGYÉSZETI GYÁR (HU) 1985-09-12 — — WO claimed
US-4642205-A Diastereomer salts of phenylalanine and N-acyl derivatives thereof and process for the separation of optically active phenylalanine and N-acyl derivatives thereof ALKALOIDA VEGYESZETI GYAR (HU) 1987-02-10 — — US disclosed
EP-0174358-A1 NOVEL DIASTEREOMER SALTS OF PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF AND PROCESS FOR THE SEPARATION OF OPTICALLY ACTIVE PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF ALKALOIDA VEGYéSZETI GYáR (HU) 1986-03-19 — — EP disclosed
WO-1985003932-A1 NOVEL DIASTEREOMER SALTS OF PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF AND PROCESS FOR THE SEPARATION OF OPTICALLY ACTIVE PHENYLALANINE AND N-ACYL DERIVATIVES THEREOF ALKALOIDA VEGYÉSZETI GYÁR (HU) 1985-09-12 — — WO disclosed
Send feedback