SCHEMBL9113744

SCHEMBL9113744

CCCCOc1cc(OCCCC)c(CCC)cc1C=CC(=O)c1ccc(OCCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.57
DPP4 P27487 4/20 0.57
ABCG2 Q9UNQ0 2/20 0.53
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
BCHE P06276 4/20 0.47
ACHE P22303 2/20 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
SCHEMBL9114110 0.98 DPP4 (0.59) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL9115302 0.93 PTPN1 (0.55) PTPN1DPP4ABCG2
SCHEMBL9112369 0.93 DPP4 (0.57) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL9110745 0.93 PTPN1 (0.55) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL9114308 0.91 DPP4 (0.57) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL9110804 0.91 PTPN1 (0.57) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL7177608 0.90 ABCG2 (0.57) PTPN1DPP4ABCG2
SCHEMBL7185102 0.89 PTPN1 (0.59) PTPN1DPP4ABCG2
SCHEMBL7183834 0.89 PTPN1 (0.59) PTPN1DPP4ABCG2CYP1A1CYP1B1
SCHEMBL9236280 0.89 DPP4 (0.69) PTPN1DPP4ABCG2CYP1A1CYP1B1

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