SCHEMBL6940925

SCHEMBL6940925

CCC[C@@](C)(C(=O)O)[C@H](CC=Cc1nccs1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL27487429 1.00 CTSL (0.30) CTSLCTSSCTSKL3MBTL1PKM
SCHEMBL6940914 0.77 CYP1A2 (0.32) CTSLCTSSCTSKL3MBTL1
SCHEMBL6940918 0.77 CYP1A2 (0.32) CTSLCTSSCTSKL3MBTL1
SCHEMBL6940923 0.76 L3MBTL1 (0.34) CTSKL3MBTL1PKM
SCHEMBL27487428 0.76 L3MBTL1 (0.34) CTSKL3MBTL1PKM
SCHEMBL6374179 0.66 TDP1 (0.37)
SCHEMBL6374183 0.66 TDP1 (0.37)
SCHEMBL14443175 0.65 METAP1 (0.36) PKM
SCHEMBL13601089 0.65 METAP1 (0.36) PKM
SCHEMBL9906042 0.64 RIOK2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed