SCHEMBL7065333

SCHEMBL7065333

C=CCC(C)CC(C)C(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32

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
SCHEMBL22367764 0.78 GRIK1 (0.42) GRIK1GRIK2
SCHEMBL18945347 0.76 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL8462460 0.73 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL18469347 0.72
SCHEMBL17567261 0.72 RNPEP (0.37) MMP1MMP3
SCHEMBL28598156 0.69 TSHR (0.37) MMP1MMP2MMP3MMP7
SCHEMBL21248664 0.69 TSHR (0.37) MMP1MMP2MMP3MMP7
SCHEMBL11031028 0.69
SCHEMBL11031026 0.69
SCHEMBL8459621 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003045324-A2 14-METHYL-EPOTHILONES KOSAN BIOSCIENCES, INC. (US) 2003-06-05 WO disclosed