SCHEMBL4015348

SCHEMBL4015348

CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.61
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
AKR1B1 P15121 1/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
AKR1C3 P42330 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6565761 0.86 PTGDR2 (0.59) PTGDR2KMT2AMEN1MAPTALDH1A1
SCHEMBL5016734 0.85 CYP3A4 (0.54) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL4009938 0.84 KMT2A (0.49) PTGDR2KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3480872 0.83 PTGDR2 (0.69) PTGDR2KMT2AMEN1MAPTALDH1A1
SCHEMBL6921762 0.81 PTGDR2 (0.63) PTGDR2KMT2AMEN1MAPTALDH1A1
SCHEMBL1531280 0.81 PTGDR2 (0.63) PTGDR2KMT2AMEN1MAPTALDH1A1
SCHEMBL15362097 0.81 PTGDR2 (0.63) PTGDR2KMT2AMEN1MAPTALDH1A1
SCHEMBL6573363 0.81 PTGDR2 (0.66) PTGDR2KMT2AMEN1MAPTALDH1A1
SCHEMBL10788762 0.81 MEN1 (0.66) PTGDR2KMT2AMEN1MAPTALDH1A1
SCHEMBL12800021 0.81 KMT2A (0.45) PTGDR2KMT2AMEN1MAPTALDH1A1

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
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed