SCHEMBL9236288

SCHEMBL9236288

CCCOc1ccc(C(=O)C=Cc2cc(CCC)c(OC)cc2OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.69
PTPN1 P18031 11/20 0.62
CYP1A1 P04798 1/20 0.61
CYP1B1 Q16678 1/20 0.61
ABCG2 Q9UNQ0 2/20 0.57
TNFRSF1A P19438 1/20 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
SCHEMBL9236280 1.00 DPP4 (0.69) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL9240615 0.92 PTPN1 (0.67) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL9240614 0.92 PTPN1 (0.67) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL9114110 0.91 DPP4 (0.59) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL9241078 0.91 TNFRSF1A (0.64) DPP4PTPN1ABCG2TNFRSF1A
SCHEMBL9241073 0.91 TNFRSF1A (0.64) DPP4PTPN1ABCG2TNFRSF1A
SCHEMBL9114308 0.89 DPP4 (0.57) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL9112369 0.89 DPP4 (0.57) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL9113744 0.89 PTPN1 (0.57) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL9112943 0.88 PTPN1 (0.71) DPP4PTPN1CYP1A1CYP1B1

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