SCHEMBL6940923

SCHEMBL6940923

CCCC[C@@H](C(=O)O)C(C/C=C/c1nccs1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.32
CTSK P43235 6/20 0.32
PLA2G4A P47712 1/20 0.31
HSPA5 P11021 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
SCHEMBL27487428 1.00 L3MBTL1 (0.34) L3MBTL1PKMCTSKPLA2G4AHSPA5
SCHEMBL6940918 0.80 CYP1A2 (0.32) L3MBTL1CTSK
SCHEMBL6940914 0.80 CYP1A2 (0.32) L3MBTL1CTSK
SCHEMBL6945570 0.78 LMNA (0.43) CTSK
SCHEMBL6943288 0.77 TBXAS1 (0.42) L3MBTL1
SCHEMBL27487429 0.76 CTSL (0.30) L3MBTL1PKMCTSK
SCHEMBL6940925 0.76 CTSL (0.30) L3MBTL1PKMCTSK
SCHEMBL15015925 0.73 CA2 (0.46) CTSK
SCHEMBL28014684 0.70 CA2 (0.47) CTSK
SCHEMBL6988869 0.65 SMN1; SMN2 (0.40)

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