SCHEMBL9114539

SCHEMBL9114539

C=CCc1cc(C=CC(=O)c2ccc(OCC)cc2)c(OC(C)(C)C)cc1OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.67
DPP4 P27487 2/20 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
SCHEMBL9113303 0.92 PTPN1 (0.57) PTPN1DPP4
SCHEMBL9113307 0.92 PTPN1 (0.57) PTPN1DPP4
SCHEMBL7179057 0.92 PTPN1 (0.67) PTPN1
SCHEMBL7192160 0.92 PTPN1 (0.67) PTPN1
SCHEMBL9112528 0.90 PTPN1 (0.69) PTPN1
SCHEMBL9112531 0.90 PTPN1 (0.69) PTPN1
SCHEMBL9114617 0.88 PTPN1 (0.74) PTPN1DPP4
SCHEMBL9114627 0.88 PTPN1 (0.74) PTPN1DPP4
SCHEMBL9235872 0.88 DPP4 (0.54) PTPN1DPP4
SCHEMBL9235873 0.88 DPP4 (0.54) PTPN1DPP4

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