SCHEMBL9113379

SCHEMBL9113379

CCOc1ccc(C(=O)C=Cc2cc(OCC)cc(OCC)c2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.60
MAPT P10636 3/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAOB P27338 9/20 0.59
CYP1A1 P04798 1/20 0.58
CYP1B1 Q16678 1/20 0.58
MAOA P21397 1/20 0.56
PTPN1 P18031 1/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
TNFRSF1A P19438 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL9113372 1.00 DPP4 (0.60) DPP4MAPTKDM4ELMNAALDH1A1
SCHEMBL9113183 0.95 MAOB (0.63) DPP4MAPTKDM4ELMNAALDH1A1
SCHEMBL9113193 0.95 MAOB (0.63) DPP4MAPTKDM4ELMNAALDH1A1
SCHEMBL9233470 0.94 DPP4 (0.58) DPP4MAPTKDM4ELMNAALDH1A1
SCHEMBL9233466 0.94 DPP4 (0.58) DPP4MAPTKDM4ELMNAALDH1A1
SCHEMBL9110695 0.93 MAOB (0.60) DPP4MAPTKDM4ELMNAALDH1A1
SCHEMBL9115041 0.92 PTPN1 (0.57) DPP4MAPTKDM4ELMNAALDH1A1
SCHEMBL9115047 0.92 PTPN1 (0.57) DPP4MAPTKDM4ELMNAALDH1A1
SCHEMBL9113901 0.92 DPP4 (0.58) DPP4MAPTKDM4ELMNAALDH1A1
SCHEMBL9112583 0.92 DPP4 (0.58) DPP4MAPTKDM4ELMNAALDH1A1

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