SCHEMBL4357878

SCHEMBL4357878

O=C(CC(=O)C1C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC25A5 P05141 2/20 1.00
MAPT P10636 6/20 0.59
HTT P42858 3/20 0.59
ALOX15 P16050 2/20 0.59
HBB P68871 2/20 0.59
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.55
CES1 P23141 1/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 2/20 0.49
PTPN1 P18031 2/20 0.48

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
SCHEMBL15976145 0.78 SLC25A5 (0.64) SLC25A5MAPTHTTALOX15HBB
SCHEMBL11451081 0.75 MAPT (1.00) SLC25A5MAPTHTTALOX15HBB
Dibenzoylmethane SCHEMBL39582 0.73 MEN1 (1.00) SLC25A5MAPTHTTALOX15MEN1
Dibenzoylmethane SCHEMBL1704711 0.73 MEN1 (1.00) SLC25A5MAPTHTTALOX15MEN1
Dibenzoylmethane SCHEMBL10356288 0.73 MEN1 (1.00) SLC25A5MAPTHTTALOX15MEN1
SCHEMBL8893921 0.72 MAPT (0.65) SLC25A5MAPTHTTALOX15HBB
SCHEMBL9722483 0.72 MEN1 (0.61) SLC25A5MAPTHTTALOX15MEN1
SCHEMBL4251157 0.72 MEN1 (0.61) SLC25A5MAPTHTTALOX15MEN1
Dibenzoylmethane SCHEMBL6249492 0.71 MEN1 (0.94) SLC25A5MAPTHTTALOX15MEN1
Dibenzoylmethane SCHEMBL531257 0.71 MEN1 (0.94) SLC25A5MAPTHTTALOX15MEN1

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-2009126335-A2 ANT2 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-10-15 WO disclosed