SCHEMBL3641682

SCHEMBL3641682

Cc1ccc(C(=O)C[C]=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
NLRP1 Q9C000 1/20 0.45
GAA P10253 1/20 0.45
NTSR1 P30989 1/20 0.45

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
SCHEMBL135383 0.81 GSK3B (0.55) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL2118359 0.79 KMT2A (0.60) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL29202459 0.78 LMNA (0.42) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL11430930 0.78 GSK3B (0.59) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL11450666 0.78 NPC1 (0.53) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL6379810 0.78 HDAC3 (0.61) GSK3BNPC1RAB9AALDH1A1LMNA
SCHEMBL11396201 0.78 KMT2A (0.47) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL571114 0.77 TDP1 (0.58) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL600578 0.77 RAB9A (0.83) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL16552778 0.77 KMT2A (0.83) GSK3BNPC1RAB9AKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176278-A2 2',3'-DI-O-ACYL-5-FLUORONUCLEOSIDES Innovate Biotechnology S.R.L. (IT) 2010-04-21 EP disclosed
WO-2008107771-A2 2',3'-DI-O-ACYL-5-FLUORONUCLEOSIDES INNOVATE BIOTECHNOLOGY S.R.L. (IT) 2008-09-12 WO disclosed