SCHEMBL28796241

SCHEMBL28796241

C=CCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)cc1OCOC

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.75
CAPN1 P07384 1/20 0.59
DPP4 P27487 1/20 0.57

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
SCHEMBL7188203 0.92 PTPN1 (0.68) PTPN1
SCHEMBL7188190 0.92 PTPN1 (0.68) PTPN1
SCHEMBL7177786 0.91 PTPN1 (0.85) PTPN1CAPN1DPP4
SCHEMBL7177792 0.91 PTPN1 (0.85) PTPN1CAPN1DPP4
SCHEMBL7189587 0.86 PTPN1 (1.00) PTPN1
SCHEMBL7189590 0.86 PTPN1 (1.00) PTPN1
SCHEMBL7181032 0.85 PTPN1 (0.67) PTPN1CAPN1
SCHEMBL7181024 0.85 PTPN1 (0.67) PTPN1CAPN1
SCHEMBL7190248 0.83 PTPN1 (0.65) PTPN1CAPN1
SCHEMBL9113009 0.82 PTPN1 (0.83) PTPN1

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
CN-109503351-B Chalcone derivative containing allyl structure and application thereof 温州医科大学 2022-01-04 CN disclosed