SCHEMBL15976145

SCHEMBL15976145

CC(=O)CC(=O)C1C(=O)c2ccccc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC25A5 P05141 2/20 0.64
ALDH1A1 P00352 3/20 0.52
HBB P68871 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 13/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 7/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 10/20 0.48
KMT2A Q03164 10/20 0.48
KDM4E B2RXH2 8/20 0.48
LMNA P02545 7/20 0.48
TDP1 Q9NUW8 5/20 0.48
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
THRB P10828 3/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL12646251 0.81 ALDH1A1 (0.49) SLC25A5ALDH1A1HBBHSD17B10MAPT
SCHEMBL4357878 0.78 SLC25A5 (1.00) SLC25A5ALDH1A1HBBHSD17B10MAPT
SCHEMBL2112664 0.77 HBB (0.61) SLC25A5ALDH1A1HBBHSD17B10MAPT
SCHEMBL353367 0.76 SLC25A5 (1.00) SLC25A5ALDH1A1HBBHSD17B10MAPT
SCHEMBL29354821 0.76 SLC25A5 (1.00) SLC25A5ALDH1A1HBBHSD17B10MAPT
SCHEMBL10896508 0.74 SLC25A5 (0.96) SLC25A5ALDH1A1HBBHSD17B10MAPT
Calcium SCHEMBL29827230 0.74 SLC25A5 (0.96) SLC25A5ALDH1A1HBBHSD17B10MAPT
SCHEMBL9512613 0.74 SLC25A5 (0.57) SLC25A5ALDH1A1HBBHSD17B10MAPT
SCHEMBL22802235 0.72 SLC25A5 (0.54) SLC25A5ALDH1A1HBBHSD17B10MAPT
SCHEMBL8893921 0.70 MAPT (0.65) SLC25A5ALDH1A1HBBHSD17B10MAPT

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
US-8815828-B2 Therapeutic combinations for use in neoplasia UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-08-26 US disclosed