SCHEMBL9114058

SCHEMBL9114058

C=CCc1cc(C=CC(=O)c2ccc(OCCC)cc2)c(OCCCC)cc1OCCCC

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.60
DPP4 P27487 3/20 0.54
ABCG2 Q9UNQ0 2/20 0.50

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
SCHEMBL9113866 0.98 PTPN1 (0.62) PTPN1DPP4ABCG2
SCHEMBL9110989 0.94 PTPN1 (0.66) PTPN1DPP4ABCG2
SCHEMBL9114910 0.94 PTPN1 (0.68) PTPN1DPP4
SCHEMBL9113976 0.94 PTPN1 (0.68) PTPN1DPP4
SCHEMBL7192602 0.93 PTPN1 (0.67) PTPN1DPP4ABCG2
SCHEMBL7180456 0.93 PTPN1 (0.67) PTPN1DPP4ABCG2
SCHEMBL9114686 0.92 PTPN1 (0.67) PTPN1DPP4ABCG2
SCHEMBL9113276 0.92 PTPN1 (0.67) PTPN1DPP4ABCG2
SCHEMBL7184632 0.91 PTPN1 (0.64) PTPN1DPP4ABCG2
SCHEMBL9112946 0.90 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