SCHEMBL7207216

SCHEMBL7207216

CCOc1ccc(C=C[N+](=O)[O-])cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.78
MAPT P10636 5/20 0.63
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 4/20 0.63
MAPK1 P28482 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
SYK P43405 2/20 0.63
HTT P42858 2/20 0.63
EGFR P00533 2/20 0.63
GALR2 O43603 1/20 0.63
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
HSP90AA1 P07900 3/20 0.60
KDM4E B2RXH2 2/20 0.60
PKM P14618 2/20 0.60
USP2 O75604 1/20 0.60
NSD2 O96028 1/20 0.60
POLB P06746 1/20 0.60
THRB P10828 1/20 0.60

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
SCHEMBL2742572 1.00 VCP (0.78) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1411603 0.94 VCP (0.78) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5512905 0.93 VCP (0.65) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5512902 0.93 VCP (0.65) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2742571 0.89 VCP (0.74) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11232085 0.89 VCP (0.74) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL793160 0.88 VCP (1.00) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29727003 0.88 VCP (1.00) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL807768 0.88 VCP (1.00) VCPMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL27441155 0.87 VCP (0.70) VCPMAPTALDH1A1SMN1; SMN2LMNA

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-0882021-B1 NEW PHENANTHRIDINES ALTANA PHARMA AG (DE) 2003-03-05 EP disclosed
US-6191138-B1 THERAPY FOR RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-20 US disclosed