SCHEMBL9114110

SCHEMBL9114110

CCCOc1ccc(C(=O)C=Cc2cc(CCC)c(OCCC)cc2OCCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.59
ABCG2 Q9UNQ0 4/20 0.55
PTPN1 P18031 9/20 0.53
CYP1A1 P04798 2/20 0.53
CYP1B1 Q16678 2/20 0.53

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
SCHEMBL9113744 0.98 PTPN1 (0.57) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL9112369 0.95 DPP4 (0.57) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL9110745 0.95 PTPN1 (0.55) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL9114308 0.93 DPP4 (0.57) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL7183834 0.92 PTPN1 (0.59) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL9236288 0.91 DPP4 (0.69) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL9236280 0.91 DPP4 (0.69) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL9115302 0.91 PTPN1 (0.55) DPP4ABCG2PTPN1
SCHEMBL7188883 0.91 ABCG2 (0.55) DPP4ABCG2PTPN1CYP1A1CYP1B1
SCHEMBL7190705 0.90 DPP4 (0.47) DPP4ABCG2PTPN1CYP1A1CYP1B1

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