SCHEMBL7776166

SCHEMBL7776166

CC(C)CC(C(=O)O)C(C/C=C\c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.45
GRIK1 P39086 8/20 0.43
GRIK2 Q13002 8/20 0.43
HTR2A P28223 3/20 0.41
PAM P19021 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL6223927 1.00 ADAM17 (0.45) ADAM17GRIK1GRIK2HTR2APAM
SCHEMBL6220795 1.00 ADAM17 (0.45) ADAM17GRIK1GRIK2HTR2APAM
SCHEMBL6220562 1.00 ADAM17 (0.45) ADAM17GRIK1GRIK2HTR2APAM
SCHEMBL6224875 1.00 ADAM17 (0.45) ADAM17GRIK1GRIK2HTR2APAM
SCHEMBL6224872 1.00 ADAM17 (0.45) ADAM17GRIK1GRIK2HTR2APAM
SCHEMBL6220557 1.00 ADAM17 (0.45) ADAM17GRIK1GRIK2HTR2APAM
SCHEMBL6220793 1.00 ADAM17 (0.45) ADAM17GRIK1GRIK2HTR2APAM
SCHEMBL6223932 1.00 ADAM17 (0.45) ADAM17GRIK1GRIK2HTR2APAM
SCHEMBL6220502 0.88 ADAM17 (0.48) ADAM17GRIK1GRIK2HTR2AMAPT
SCHEMBL6220493 0.88 ADAM17 (0.48) ADAM17GRIK1GRIK2HTR2AMAPT

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-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed