SCHEMBL28796293

SCHEMBL28796293

C=CCc1cc(/C=C/C(=O)c2ccc(OC)cc2O)c(OC)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 1.00
APP P05067 1/20 0.69
MEN1 O00255 1/20 0.67
NPC1 O15118 1/20 0.67
MAPT P10636 1/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL28796179 0.92 PTPN1 (1.00) PTPN1APP
SCHEMBL28796198 0.87 PTPN1 (1.00) PTPN1
SCHEMBL28796217 0.85 PTPN1 (1.00) PTPN1
SCHEMBL28796167 0.84 PTPN1 (1.00) PTPN1
SCHEMBL5084271 0.84 APP (0.82) PTPN1APPMEN1NPC1MAPT
SCHEMBL5084266 0.84 APP (0.82) PTPN1APPMEN1NPC1MAPT
SCHEMBL7189590 0.83 PTPN1 (1.00) PTPN1
SCHEMBL7189587 0.83 PTPN1 (1.00) PTPN1
SCHEMBL4446313 0.82 APP (1.00) PTPN1APPMEN1NPC1MAPT
SCHEMBL4446319 0.82 APP (1.00) PTPN1APPMEN1NPC1MAPT

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