SCHEMBL28666405

SCHEMBL28666405

Cc1ccc(C)c(C(O)CON2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
F2 P00734 2/20 0.48
XBP1 P17861 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
VDR P11473 1/20 0.40

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
SCHEMBL28930374 0.81 POLB (0.53) POLBSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL28675352 0.80 POLB (0.49) POLBSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL30444198 0.80 POLB (0.49) POLBSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL2296722 0.75 POLB (0.58) POLBSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL2296725 0.75 POLB (0.58) POLBSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL31208299 0.75 POLB (0.58) POLBSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL529416 0.74 POLB (0.70) POLBSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL28675859 0.73 POLB (0.54) POLBSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL24103250 0.73 ALDH1A1 (0.45) POLBSMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL25379441 0.73 ALDH1A1 (0.45) POLBSMN1; SMN2ALDH1A1KMT2AKDM4E

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-113698338-A Preparation method of styrene double oxidation product 湖北工业大学 2021-11-26 CN disclosed