SCHEMBL6945570

SCHEMBL6945570

CCCC[C@@H](C(=O)O)C(C/C=C/c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CTSK P43235 8/20 0.39
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL6943288 0.88 TBXAS1 (0.42) LMNA
SCHEMBL6223932 0.83 ADAM17 (0.45) GRIK1GRIK2AAK1HTR2A
SCHEMBL6220795 0.83 ADAM17 (0.45) GRIK1GRIK2AAK1HTR2A
SCHEMBL6220562 0.83 ADAM17 (0.45) GRIK1GRIK2AAK1HTR2A
SCHEMBL6224875 0.83 ADAM17 (0.45) GRIK1GRIK2AAK1HTR2A
SCHEMBL6223927 0.83 ADAM17 (0.45) GRIK1GRIK2AAK1HTR2A
SCHEMBL6224872 0.83 ADAM17 (0.45) GRIK1GRIK2AAK1HTR2A
SCHEMBL6220793 0.83 ADAM17 (0.45) GRIK1GRIK2AAK1HTR2A
SCHEMBL6220557 0.83 ADAM17 (0.45) GRIK1GRIK2AAK1HTR2A
SCHEMBL7776166 0.83 ADAM17 (0.45) GRIK1GRIK2AAK1HTR2A

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 4 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
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed