SCHEMBL9114331

SCHEMBL9114331

CCOc1ccc(C(=O)C=Cc2cc(C)c(OC(C)C)cc2OC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.54
MAOB P27338 9/20 0.53
MAOA P21397 1/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTPN1 P18031 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9114328 1.00 DPP4 (0.54) DPP4MAOBMAOAMAPTKDM4E
SCHEMBL9113953 0.91 DPP4 (0.56) DPP4MAOBPTPN1ABCG2CYP1A1
SCHEMBL9115655 0.91 DPP4 (0.56) DPP4MAOBPTPN1ABCG2CYP1A1
SCHEMBL7191748 0.88 PTPN1 (0.56) DPP4PTPN1ABCG2
SCHEMBL7192678 0.88 PTPN1 (0.56) DPP4PTPN1ABCG2
SCHEMBL9114378 0.87 ABCG2 (0.59) DPP4MAOBMAOAMAPTKDM4E
SCHEMBL9114382 0.87 ABCG2 (0.59) DPP4MAOBMAOAMAPTKDM4E
SCHEMBL7187552 0.87 DPP4 (0.57) DPP4MAOBMAOAMAPTKDM4E
SCHEMBL7187555 0.87 DPP4 (0.57) DPP4MAOBMAOAMAPTKDM4E
SCHEMBL9113888 0.87 CYP1A1 (0.59) DPP4MAOBMAOAMAPTKDM4E

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 2 patents. 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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed