SCHEMBL10784315

SCHEMBL10784315

CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.43
▸ CTSL P07711 4/20 0.42
▸ CTSB P07858 2/20 0.42
▸ CTSK P43235 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ KISS1R Q969F8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL10779891 0.84 KISS1R (0.46) CTSSCTSLCTSBCTSKTDP1
SCHEMBL10780784 0.80 TAS1R3 (0.69) CTSSCTSLCTSKGAATAS1R3
SCHEMBL7108670 0.77 GRN (0.54) KDM4EPOLB
SCHEMBL21265876 0.75 ALDH1A1 (0.49) CTSSCTSLCTSBCTSKGAA
SCHEMBL9807063 0.74 CTSK (0.70) CTSSCTSLCTSBCTSK
SCHEMBL27504171 0.74 KDM4E (0.47) KDM4EPOLB
SCHEMBL6756063 0.72 CAPN9 (0.43) CTSSCTSLCTSBCTSKGAA
SCHEMBL13222147 0.72 KDM4E (0.54) GAAKDM4EPOLB
SCHEMBL16628812 0.71 CAPN9 (0.42) CTSSCTSLCTSBCTSKGAA
SCHEMBL16628790 0.71 CAPN9 (0.42) CTSSCTSLCTSBCTSKGAA

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
EP-0099056-B1 N-ACYL DERIVATIVES OF DIPEPTIDES, THEIR MANUFACTURE AND USE IN TREATING DISEASES, AND MEANS THEREFOR BASF Aktiengesellschaft (DE) 1987-09-30 — — EP disclosed
US-4610818-A N-acyl derivatives of dipeptides, their preparation and their use in the therapy of disorders, and agents for this purpose BASF AKTIENGESELLSCHAFT (DE) 1986-09-09 — — US disclosed
EP-0099056-A2 N-acyl derivatives of dipeptides, their manufacture and use in treating diseases, and means therefor BASF Aktiengesellschaft (DE) 1984-01-25 — — EP disclosed
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