SCHEMBL318396

SCHEMBL318396

CCC1CC(=O)OCC(OC(=O)C(C)C)CC(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
HMGCR P04035 1/20 0.31

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
SCHEMBL9925264 0.86 PTPN1 (0.37) PTPN1
SCHEMBL15530328 0.82 SMN1; SMN2 (0.43) PTPN1
SCHEMBL15529791 0.78 PTPN1 (0.33) PTPN1
SCHEMBL786107 0.77 PTPN1 (0.40) PTPN1HMGCR
SCHEMBL12973912 0.76 PTPN1 (0.38) PTPN1
SCHEMBL19052046 0.75 PTPN1 (0.40) PTPN1
SCHEMBL12834881 0.74 PTPN1 (0.35) PTPN1
SCHEMBL18845371 0.73 PTPN1 (0.36) PTPN1
SCHEMBL13779883 0.72 PTPN1 (0.34) PTPN1
SCHEMBL15742997 0.71 ABCB1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004326-A1 PESTICIDAL PYRROLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed