SCHEMBL25944600

SCHEMBL25944600

CCOC(=O)c1c(CNC(=O)OC(C)(C)C)n(C)c2cc(-c3cccc4c(C)cccc34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.38
RAD52 P43351 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
P4HB P07237 1/20 0.37
MAPT P10636 1/20 0.37
GRM2 Q14416 1/20 0.36
HPGD P15428 1/20 0.36
PTGES O14684 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
AKT1 P31749 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
SCHEMBL25944006 0.96 ALOX5 (0.40) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25945247 0.91 PKM (0.42) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25944855 0.91 PRMT5 (0.42) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25944493 0.89 KDM4E (0.40) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25944785 0.88 PRMT5 (0.41) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25945611 0.88 ALOX5 (0.41) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25945920 0.87 ALOX5 (0.41) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25945695 0.87 GRM2 (0.40) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25943587 0.86 AAK1 (0.40) ALOX5KDM4EALDH1A1RAD52MEN1
SCHEMBL25939235 0.86 ALOX5 (0.42) ALOX5KDM4EALDH1A1RAD52MEN1

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