SCHEMBL4750253

SCHEMBL4750253

COc1ccc(-c2cc3c(c(C)n2)C(=O)OCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 7/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
PTGDR Q13258 1/20 0.39
CYP19A1 P11511 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4749649 0.88 PFKFB3 (0.43) BRD4KDM4ENPC1RAB9AMAPT
SCHEMBL4066864 0.85 ALDH1A1 (0.39) BRD4KDM4EKMT2AMEN1NPC1
SCHEMBL4073028 0.82 APP (0.36) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4481191 0.79 ALDH1A1 (0.46) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL4749025 0.78 PIK3CA (0.39)
SCHEMBL4064580 0.77 SQOR (0.47) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL4071782 0.76 HRH1 (0.49) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL4063729 0.74 PDE10A (0.38) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL4065502 0.73 KDM4E (0.42) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL4063497 0.73 KDM4E (0.44) BRD4KDM4EKMT2AMEN1DYRK1A

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
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed