SCHEMBL10784918

SCHEMBL10784918

CC(C)C[C@H](NC(=O)c1cccs1)C(=O)NCC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 6/20 0.61
▸ HSPA2 P54652 3/20 0.61
▸ CTSK P43235 2/20 0.56
▸ CTSB P07858 3/20 0.54
▸ CTSS P25774 2/20 0.54
▸ CTSL P07711 3/20 0.53
▸ RAB9A P51151 1/20 0.50
▸ HPGD P15428 1/20 0.46
▸ HSPA9 P38646 1/20 0.45
▸ TSHR P16473 2/20 0.44

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
SCHEMBL10784866 0.81 CTSL (0.70) CTSKCTSBCTSSCTSL
SCHEMBL10780117 0.79 CTSL (0.48) HSPA5HSPA2CTSKCTSBCTSS
SCHEMBL5717751 0.78 KDM4E (0.64) RAB9AHPGDTSHR
SCHEMBL21514802 0.77 HSPA5 (0.40) HSPA5HSPA2CTSKCTSBCTSS
SCHEMBL10782355 0.77 CTSL (0.53) CTSKCTSBCTSSCTSLTSHR
SCHEMBL10779891 0.77 KISS1R (0.46) CTSKCTSBCTSSCTSL
SCHEMBL23818887 0.76 HSPA5 (1.00) HSPA5HSPA2CTSKHSPA9TSHR
SCHEMBL10784901 0.76 CTSK (0.56) CTSKCTSBCTSSCTSL
SCHEMBL10782255 0.75 CTSL (0.52) CTSKCTSBCTSSCTSL
SCHEMBL8865514 0.74 RAB9A (0.58) HSPA5HSPA2CTSKCTSBCTSS

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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