SCHEMBL9115035

SCHEMBL9115035

CCCOc1ccc(C(=O)C=Cc2cc(OCCC)cc(OCCC)c2CCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.56
CYP1A1 P04798 3/20 0.55
CYP1B1 Q16678 3/20 0.55
ABCG2 Q9UNQ0 3/20 0.55
PTPN1 P18031 1/20 0.51
TNFRSF1A P19438 1/20 0.46
BCHE P06276 3/20 0.45
ACHE P22303 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9110908 0.98 DPP4 (0.54) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9113615 0.97 DPP4 (0.53) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112484 0.94 CYP1A1 (0.58) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9114526 0.94 DPP4 (0.53) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9114611 0.93 ABCG2 (0.59) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9111803 0.93 PTPN1 (0.51) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9115805 0.92 DPP4 (0.53) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112959 0.90 DPP4 (0.61) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112237 0.90 ABCG2 (0.61) DPP4CYP1A1CYP1B1ABCG2PTPN1
SCHEMBL9112950 0.90 DPP4 (0.61) DPP4CYP1A1CYP1B1ABCG2PTPN1

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