SCHEMBL7687166

SCHEMBL7687166

CC(=O)OC(OC(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
HTR2A P28223 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
KMT2A Q03164 4/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MGLL Q99685 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL2233848 0.82 HTR2A (0.50) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL2233659 0.82 HTR2A (0.52) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL21097121 0.79 HTR2A (0.54) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL23922815 0.79 HTR2A (0.54) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL21098059 0.79 HTR2A (0.54) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL7687606 0.78 BCL9 (0.52) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL1059539 0.78 HTR2A (0.60) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL7989561 0.77 HTR2A (0.53) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL2235343 0.76 HTR2A (0.52) GAAHTR2ABCL9CTNNB1KMT2A
SCHEMBL7412943 0.76 GAA (0.51) GAAHTR2ABCL9CTNNB1KMT2A

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-6472397-B1 Nitrogen-containing heterocyclic compounds having antiplatelet aggregation effect and medicinal use thereof MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-29 US disclosed
EP-1070712-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS HAVING ANTIPLATELET AGGREGATION EFFECT AND MEDICINAL USE THEREOF MEIJI SEIKA KAISHA LTD. (JP) 2001-01-24 EP disclosed