SCHEMBL9115281

SCHEMBL9115281

C=CCc1cc(/C=C/C(=O)c2ccc(OCCC)cc2)c(OC(C)C)cc1OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.57
DPP4 P27487 3/20 0.52
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL9115287 1.00 PTPN1 (0.57) PTPN1DPP4ABCG2
SCHEMBL9114856 0.92 PTPN1 (0.67) PTPN1DPP4
SCHEMBL9114849 0.92 PTPN1 (0.67) PTPN1DPP4
SCHEMBL7200526 0.90 PTPN1 (0.67) PTPN1
SCHEMBL7177799 0.90 PTPN1 (0.67) PTPN1
SCHEMBL9113866 0.89 PTPN1 (0.62) PTPN1DPP4ABCG2
SCHEMBL9112119 0.88 PTPN1 (0.69) PTPN1ABCG2
SCHEMBL9112122 0.88 PTPN1 (0.69) PTPN1ABCG2
SCHEMBL9110989 0.87 PTPN1 (0.66) PTPN1DPP4ABCG2
SCHEMBL9112943 0.87 PTPN1 (0.71) PTPN1DPP4

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-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed