SCHEMBL25945920

SCHEMBL25945920

CCOC(=O)c1c(CNC(=O)OC(C)(C)C)n(C)c2cc(-c3cccc4ccc(Cl)cc34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
KDM4E B2RXH2 4/20 0.37
MDM2 Q00987 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ELANE P08246 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAD52 P43351 1/20 0.35
PTGES O14684 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NQO2 P16083 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL25945611 0.94 ALOX5 (0.41) ALOX5KDM4EMDM2PRMT5WDR77
SCHEMBL25945695 0.91 GRM2 (0.40) ALOX5KDM4EELANEALDH1A1HPGD
SCHEMBL25944855 0.89 PRMT5 (0.42) ALOX5KDM4EPRMT5WDR77ALDH1A1
SCHEMBL25945764 0.88 ALOX5 (0.41) ALOX5KDM4EPRMT5WDR77ALDH1A1
SCHEMBL25945921 0.88 ALOX5 (0.42) ALOX5KDM4EELANEALDH1A1HPGD
SCHEMBL25944493 0.88 KDM4E (0.40) ALOX5KDM4EELANEALDH1A1HPGD
SCHEMBL25944600 0.87 ALOX5 (0.41) ALOX5KDM4EALDH1A1HPGDRAD52
SCHEMBL25944270 0.87 RAD52 (0.41) ALOX5KDM4EELANEALDH1A1TSHR
SCHEMBL25945247 0.85 PKM (0.42) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25944785 0.85 PRMT5 (0.41) ALOX5KDM4EMDM2PRMT5WDR77

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