SCHEMBL9112583

SCHEMBL9112583

CCCCOc1cc(C=CC(=O)c2ccc(OCC)cc2)c(C)c(OCCCC)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.58
PTPN1 P18031 3/20 0.58
ABCG2 Q9UNQ0 2/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A1 P04798 2/20 0.53
CYP1B1 Q16678 2/20 0.53
MAOB P27338 5/20 0.53
MAOA P21397 1/20 0.51

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
SCHEMBL9113901 0.95 DPP4 (0.58) DPP4PTPN1ABCG2KDM4ELMNA
SCHEMBL9118097 0.94 DPP4 (0.59) DPP4PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL9233470 0.93 DPP4 (0.58) DPP4PTPN1ABCG2KDM4ELMNA
SCHEMBL9233466 0.93 DPP4 (0.58) DPP4PTPN1ABCG2KDM4ELMNA
SCHEMBL9115792 0.92 DPP4 (0.59) DPP4PTPN1ABCG2KDM4ELMNA
SCHEMBL9115935 0.92 DPP4 (0.61) DPP4PTPN1ABCG2KDM4ELMNA
SCHEMBL9113372 0.92 DPP4 (0.60) DPP4PTPN1ABCG2KDM4ELMNA
SCHEMBL9113379 0.92 DPP4 (0.60) DPP4PTPN1ABCG2KDM4ELMNA
SCHEMBL9111997 0.91 ABCG2 (0.63) DPP4PTPN1ABCG2CYP1A1CYP1B1
SCHEMBL9112250 0.89 PTPN1 (0.55) DPP4PTPN1ABCG2CYP1A1CYP1B1

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