SCHEMBL28281122

SCHEMBL28281122

C=CCc1cc(/C=C/C(=O)c2ccc(OCCCC(=O)OCC)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
SCHEMBL28282495 0.87 PTPN1 (1.00) PTPN1
SCHEMBL28281140 0.84 PTPN1 (1.00) PTPN1
SCHEMBL28281124 0.82 PTPN1 (0.74) PTPN1
SCHEMBL7189587 0.81 PTPN1 (1.00) PTPN1
SCHEMBL7189590 0.81 PTPN1 (1.00) PTPN1
SCHEMBL9112943 0.80 PTPN1 (0.71) PTPN1
SCHEMBL9112946 0.80 PTPN1 (0.71) PTPN1
SCHEMBL9112478 0.80 PTPN1 (0.84) PTPN1
SCHEMBL9112482 0.80 PTPN1 (0.84) PTPN1
SCHEMBL7185115 0.79 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-A A kind of chalcone derivative containing allylic structure and its application 温州医科大学 2019-03-22 CN disclosed