SCHEMBL9113874

SCHEMBL9113874

CCOc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C)cc2OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.57
MAOB P27338 10/20 0.53
MAOA P21397 1/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
PTPN1 P18031 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9112642 1.00 DPP4 (0.57) DPP4MAOBMAOAMAPTKDM4E
SCHEMBL9114960 0.91 DPP4 (0.59) DPP4MAPTKDM4ELMNASMN1; SMN2
SCHEMBL9114967 0.91 DPP4 (0.59) DPP4MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7184629 0.88 PTPN1 (0.56) DPP4PTPN1ABCG2
SCHEMBL7184626 0.88 PTPN1 (0.56) DPP4PTPN1ABCG2
SCHEMBL9113899 0.88 DPP4 (0.56) DPP4MAOBMAOAMAPTKDM4E
SCHEMBL9114897 0.87 ABCG2 (0.59) DPP4MAOBMAPTKDM4ELMNA
SCHEMBL9114892 0.87 ABCG2 (0.59) DPP4MAOBMAPTKDM4ELMNA
SCHEMBL9113757 0.87 DPP4 (0.60) DPP4MAOBMAOAMAPTKDM4E
SCHEMBL7191053 0.86 DPP4 (0.45) DPP4MAPTKDM4ELMNASMN1; SMN2

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 disclosed