SCHEMBL9770576

SCHEMBL9770576

COc1ccc(OCN2C(=O)CCC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
POLB P06746 2/20 0.55
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.46
CMA1 P23946 1/20 0.46
RAB9A P51151 2/20 0.45
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
GSK3A P49840 3/20 0.43
GSK3B P49841 3/20 0.43
MEN1 O00255 2/20 0.43
BLM P54132 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
MMP2 P08253 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL9770539 0.81 ALOX12 (0.54) POLBALDH1A1LMNARAB9AKMT2A
SCHEMBL41389 0.78 CMA1 (0.70) GAAPOLBALDH1A1HTTCMA1
SCHEMBL9770552 0.75 RAB9A (0.71) GAAPOLBRAB9AKMT2AATM
SCHEMBL18825272 0.73 NPC1 (0.64) GAAPOLBALDH1A1LMNARAB9A
SCHEMBL40778 0.71 CMA1 (0.66) GAAALDH1A1HTTCMA1KMT2A
SCHEMBL11684109 0.71 MEN1 (0.62) GAAPOLBALDH1A1HTTCMA1
SCHEMBL12444397 0.71 POLB (1.00) GAAPOLBALDH1A1LMNARAB9A
SCHEMBL9901831 0.71 GAA (0.40) GAAPOLBALDH1A1HTTLMNA
SCHEMBL31175413 0.70 GSK3A (0.53) GAAPOLBALDH1A1HTTGSK3A
SCHEMBL6535956 0.69 LTA4H (0.58) POLBALDH1A1HTTLMNAKMT2A

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-5001115-A Prodrugs of biologically active hydroxyaromatic compounds UNIVERSITY OF FLORIDA (US) 1991-03-19 US disclosed