SCHEMBL28796205

SCHEMBL28796205

C=CCc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)c(OC)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 1.00

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
SCHEMBL28796171 0.92 PTPN1 (1.00) PTPN1
SCHEMBL7189587 0.89 PTPN1 (1.00) PTPN1
SCHEMBL7189590 0.89 PTPN1 (1.00) PTPN1
SCHEMBL28796161 0.89 PTPN1 (1.00) PTPN1
SCHEMBL28796198 0.88 PTPN1 (1.00) PTPN1
SCHEMBL7185122 0.87 PTPN1 (0.83) PTPN1
SCHEMBL7185115 0.87 PTPN1 (0.83) PTPN1
SCHEMBL28796181 0.86 PTPN1 (1.00) PTPN1
SCHEMBL7177148 0.85 PTPN1 (0.80) PTPN1
SCHEMBL7177152 0.85 PTPN1 (0.80) 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