SCHEMBL9114443

SCHEMBL9114443

C=CCc1c(C=CC(=O)c2ccc(OCCC)cc2)cc(OCCCC)cc1OCCCC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.52
DPP4 P27487 3/20 0.52
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.50
BCHE P06276 2/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL9115199 0.98 DPP4 (0.53) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9113330 0.95 PTPN1 (0.56) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9112615 0.95 PTPN1 (0.56) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9113710 0.94 PTPN1 (0.56) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9114919 0.94 PTPN1 (0.56) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9115078 0.93 PTPN1 (0.55) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9113083 0.93 ABCG2 (0.57) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9114923 0.93 PTPN1 (0.56) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9115138 0.93 PTPN1 (0.55) PTPN1DPP4CYP1A1CYP1B1ABCG2
SCHEMBL9110716 0.92 ABCG2 (0.56) PTPN1DPP4CYP1A1CYP1B1ABCG2

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