SCHEMBL9114718

SCHEMBL9114718

CCCc1cc(/C=C/C(=O)c2ccc(OCC)cc2)c(OCC)cc1OCC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.58
DPP4 P27487 5/20 0.56
MAOB P27338 8/20 0.53
MAOA P21397 1/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9111725 1.00 PTPN1 (0.58) PTPN1DPP4MAOBMAOAMAPT
SCHEMBL9115302 0.94 PTPN1 (0.55) PTPN1DPP4MAOBMAOAMAPT
SCHEMBL9112369 0.94 DPP4 (0.57) PTPN1DPP4MAOBMAOAMAPT
SCHEMBL9110745 0.94 PTPN1 (0.55) PTPN1DPP4MAOBMAOAMAPT
SCHEMBL9114532 0.93 MAOB (0.56) PTPN1DPP4MAOBMAPTKDM4E
SCHEMBL9113362 0.93 MAOB (0.56) PTPN1DPP4MAOBMAPTKDM4E
SCHEMBL7184678 0.91 PTPN1 (0.60) PTPN1DPP4MAOBMAOAMAPT
SCHEMBL7184672 0.91 PTPN1 (0.60) PTPN1DPP4MAOBMAOAMAPT
SCHEMBL9240615 0.91 PTPN1 (0.67) PTPN1DPP4MAOBMAPTKDM4E
SCHEMBL9240614 0.91 PTPN1 (0.67) PTPN1DPP4MAOBMAPTKDM4E

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