SCHEMBL9115302

SCHEMBL9115302

CCCCOc1cc(OCCCC)c(CCC)cc1C=CC(=O)c1ccc(OCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.55
DPP4 P27487 5/20 0.54
MAOB P27338 8/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
MAOA P21397 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL9110745 0.96 PTPN1 (0.55) PTPN1DPP4MAOBKDM4ELMNA
SCHEMBL9114718 0.94 PTPN1 (0.58) PTPN1DPP4MAOBKDM4ELMNA
SCHEMBL9111725 0.94 PTPN1 (0.58) PTPN1DPP4MAOBKDM4ELMNA
SCHEMBL9113744 0.93 PTPN1 (0.57) PTPN1DPP4ABCG2
SCHEMBL9110804 0.91 PTPN1 (0.57) PTPN1DPP4MAOBKDM4ELMNA
SCHEMBL9112369 0.91 DPP4 (0.57) PTPN1DPP4MAOBKDM4ELMNA
SCHEMBL9114110 0.91 DPP4 (0.59) PTPN1DPP4ABCG2
SCHEMBL7177608 0.90 ABCG2 (0.57) PTPN1DPP4MAOBABCG2
SCHEMBL7185102 0.89 PTPN1 (0.59) PTPN1DPP4ABCG2
SCHEMBL7192008 0.89 PTPN1 (0.49) PTPN1DPP4LMNAMAPTABCG2

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