SCHEMBL9113374

SCHEMBL9113374

CCCCOc1cc(OCCCC)c(C(C)(C)C)cc1C=CC(=O)c1ccc(OCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.53
PTPN1 P18031 3/20 0.53
CYP1A1 P04798 2/20 0.49
CYP1B1 Q16678 2/20 0.49
MAOB P27338 5/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL9111072 0.96 DPP4 (0.53) DPP4PTPN1CYP1A1CYP1B1MAOB
SCHEMBL9114316 0.94 DPP4 (0.56) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL9113156 0.93 DPP4 (0.56) DPP4PTPN1CYP1A1CYP1B1MAOB
SCHEMBL9112427 0.91 DPP4 (0.56) DPP4PTPN1CYP1A1CYP1B1MAOB
SCHEMBL9111721 0.91 PTPN1 (0.59) DPP4PTPN1CYP1A1CYP1B1MAOB
SCHEMBL9112988 0.91 DPP4 (0.58) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7177805 0.90 ABCG2 (0.56) DPP4PTPN1MAOBABCG2
SCHEMBL7186407 0.90 PTPN1 (0.53) DPP4PTPN1ABCG2
SCHEMBL7178811 0.89 PTPN1 (0.52) DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7186077 0.89 PTPN1 (0.48) DPP4PTPN1CYP1A1CYP1B1LMNA

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