SCHEMBL9112464

SCHEMBL9112464

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.70
PTPN1 P18031 5/20 0.65
KDM4E B2RXH2 2/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 2/20 0.63
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ABCG2 Q9UNQ0 2/20 0.63
CYP1A1 P04798 1/20 0.62
CYP1B1 Q16678 1/20 0.62
MAOB P27338 3/20 0.60
TNFRSF1A P19438 1/20 0.57
MAOA P21397 1/20 0.54

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
SCHEMBL9112466 1.00 DPP4 (0.70) DPP4PTPN1KDM4ELMNAMAPT
SCHEMBL9114690 0.91 DPP4 (0.71) DPP4PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL9114688 0.91 DPP4 (0.71) DPP4PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL9113757 0.90 DPP4 (0.60) DPP4PTPN1KDM4ELMNAMAPT
SCHEMBL9111986 0.89 TNFRSF1A (0.72) DPP4PTPN1KDM4ELMNAMAPT
SCHEMBL9111983 0.89 TNFRSF1A (0.72) DPP4PTPN1KDM4ELMNAMAPT
SCHEMBL9113243 0.88 MAOB (0.60) DPP4PTPN1KDM4ELMNAMAPT
SCHEMBL9113247 0.88 MAOB (0.60) DPP4PTPN1KDM4ELMNAMAPT
SCHEMBL7192619 0.87 PTPN1 (0.70) DPP4PTPN1ABCG2TNFRSF1A
SCHEMBL7187135 0.87 PTPN1 (0.70) DPP4PTPN1ABCG2TNFRSF1A

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