SCHEMBL25947210

SCHEMBL25947210

CCOC(=O)c1c(CNC(=O)OC(C)(C)C)n(C)c2cc(-c3cccc4ccccc34)c(C3CC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
PKM P14618 1/20 0.37
RAD52 P43351 1/20 0.36
ALOX5 P09917 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 2/20 0.36
P4HB P07237 1/20 0.36
CASP3 P42574 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SPR P35270 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CACNA1C Q13936 1/20 0.35
KDM4A O75164 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL25947313 0.97 CASP3 (0.38) KDM4EPKMRAD52ALOX5KMT2A
SCHEMBL25947740 0.94 PKM (0.38) KDM4EPKMRAD52ALOX5KMT2A
SCHEMBL25939765 0.88 KDM4E (0.39) KDM4EPKMRAD52ALOX5KMT2A
SCHEMBL25946906 0.87 RAD52 (0.44) KDM4EPKMRAD52ALOX5KMT2A
SCHEMBL25946423 0.87 ALOX5 (0.42) KDM4ERAD52ALOX5KMT2AMEN1
SCHEMBL25947898 0.87 ALOX5 (0.35) KDM4EPKMRAD52ALOX5KMT2A
SCHEMBL25947076 0.86 TSHR (0.38) KDM4ERAD52ALOX5KMT2AMEN1
SCHEMBL25947855 0.85 RAD52 (0.46) KDM4EPKMRAD52ALOX5KMT2A
SCHEMBL25947799 0.85 ALOX5 (0.42) KDM4ERAD52ALOX5KMT2AMEN1
SCHEMBL25939889 0.85 PKM (0.41) KDM4EPKMRAD52ALOX5KMT2A

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed