SCHEMBL28796201

SCHEMBL28796201

C=CCc1cc(/C=C/C(=O)c2cccc(N(C)C)c2)c(OC(C)C)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
SCHEMBL28796161 0.89 PTPN1 (1.00) PTPN1
SCHEMBL7186587 0.83 PTPN1 (0.78) PTPN1
SCHEMBL7186591 0.83 PTPN1 (0.78) PTPN1
SCHEMBL28796203 0.82 PTPN1 (1.00) PTPN1
SCHEMBL7188020 0.81 PTPN1 (0.68) PTPN1
SCHEMBL7188015 0.81 PTPN1 (0.68) PTPN1
SCHEMBL7183995 0.80 PTPN1 (0.66) PTPN1
SCHEMBL7183998 0.80 PTPN1 (0.66) PTPN1
SCHEMBL28796205 0.78 PTPN1 (1.00) PTPN1
SCHEMBL7189246 0.78 PTPN1 (0.64) 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