SCHEMBL25947111

SCHEMBL25947111

CCOC(=O)c1c(CNC(=O)OC(C)(C)C)n(C)c2cc(Br)c(C3=CCC[C@@H]3C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
P4HB P07237 2/20 0.43
KMT2A Q03164 5/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SPR P35270 1/20 0.38
PKM P14618 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
GAA P10253 1/20 0.34
ALOX5 P09917 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL25947208 0.82 RAD52 (0.47) MAPTP4HBKMT2AHTTRAD52
SCHEMBL25947075 0.81 TSHR (0.50) MAPTP4HBKMT2AHTTRAD52
SCHEMBL25947897 0.81 RAD52 (0.45) MAPTP4HBKMT2AHTTRAD52
SCHEMBL25947680 0.80 MAPT (0.44) MAPTP4HBKMT2AHTTRAD52
SCHEMBL25947110 0.80 RAD52 (0.49) MAPTP4HBKMT2AHTTRAD52
SCHEMBL25946422 0.80 RAD52 (0.49) MAPTP4HBKMT2AHTTRAD52
SCHEMBL25947608 0.79 TSHR (0.46) MAPTP4HBKMT2AHTTRAD52
SCHEMBL25947855 0.79 RAD52 (0.46) MAPTP4HBKMT2AHTTRAD52
SCHEMBL25946923 0.78 RAD52 (0.47) MAPTP4HBKMT2AHTTRAD52
SCHEMBL25943901 0.76 RAD52 (0.46) MAPTP4HBKMT2ARAD52ALDH1A1

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