SCHEMBL25944000

SCHEMBL25944000

CCOC(=O)c1c(CNC(=O)OC(C)(C)C)n(C)c2cc(B3CC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
RAD52 P43351 1/20 0.36
P4HB P07237 1/20 0.34
MAPT P10636 1/20 0.34
ALOX5 P09917 7/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL25944005 0.88 PRMT5 (0.51) PRMT5WDR77RAD52P4HBMAPT
SCHEMBL25943967 0.81 PRMT5 (0.51) PRMT5WDR77RAD52ALOX5KMT2A
SCHEMBL25943586 0.79 RAD52 (0.46) RAD52P4HBMAPTALOX5KMT2A
SCHEMBL25944006 0.74 ALOX5 (0.40) RAD52P4HBMAPTALOX5KMT2A
SCHEMBL25943901 0.73 RAD52 (0.46) RAD52P4HBMAPTALOX5KMT2A
SCHEMBL25944600 0.73 ALOX5 (0.41) RAD52P4HBMAPTALOX5KMT2A
SCHEMBL21561806 0.73 BRD4 (0.42) PRMT5WDR77POLB
SCHEMBL25947110 0.72 RAD52 (0.49) RAD52P4HBMAPTALOX5KMT2A
SCHEMBL25946422 0.72 RAD52 (0.49) RAD52P4HBMAPTALOX5KMT2A
SCHEMBL25946923 0.72 RAD52 (0.47) RAD52P4HBMAPTALOX5KMT2A

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