SCHEMBL2298417

SCHEMBL2298417

CC(=O)OC(c1ccc2c(c1)OCO2)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.43
MGLL Q99685 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK9 P45984 1/20 0.41
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
VCP P55072 1/20 0.40
EDNRA P25101 1/20 0.40

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
SCHEMBL28168165 0.88 MAPT (0.44) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL9562062 0.88 MAPT (0.43) GAAMAPTKMT2AMEN1RAB9A
Methane SCHEMBL28340880 0.86 MAPT (0.42) GAAMAPTKMT2AMEN1RAB9A
Methane SCHEMBL2042661 0.86 MAPT (0.43) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL14829845 0.84 KMT2A (0.45) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL15049955 0.83 MAPT (0.45) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL27699145 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP3A4HPGD
SCHEMBL636949 0.79 RAB9A (0.44) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL636948 0.79 RAB9A (0.41) GAAMAPTKMT2AMEN1RAB9A
SCHEMBL11083633 0.78 KMT2A (0.50) KMT2AMEN1ALDH1A1CYP3A4HPGD

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
US-20110201528-A1 Methods Of Forming An Oligomer Array KUMHO PETROCHEMICAL CO., LTD. (KP) 2011-08-18 US claimed
US-20110201528-A1 Methods Of Forming An Oligomer Array KUMHO PETROCHEMICAL CO., LTD. (KP) 2011-08-18 US disclosed