SCHEMBL5329375

SCHEMBL5329375

Cc1cc(OCC(C)(O)[C@H](C)O)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 3/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.41
MAPK1 P28482 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
SCHEMBL5323321 1.00 ALDH1A1 (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5329373 0.81 MAPT (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5323320 0.81 MAPT (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6826039 0.78 MAPT (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27626494 0.78 NPC1 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5323319 0.77 HTT (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8628490 0.76 MAPT (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5426303 0.76 MAPT (0.53) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10870559 0.76 MAPT (0.71) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8746685 0.76 MAPT (0.62) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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
WO-2007121415-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 WO disclosed