SCHEMBL7604820

SCHEMBL7604820

CC=CC=CCc1cccc(OC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
RAB9A P51151 3/20 0.34
POLB P06746 3/20 0.34
NCEH1 Q6PIU2 1/20 0.33
PTPN1 P18031 1/20 0.32
MDM2 Q00987 1/20 0.31
SNCA P37840 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TDP1 Q9NUW8 3/20 0.30
HTT P42858 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7604823 1.00 HPGD (0.35) HPGDRAB9APOLBNCEH1PTPN1
SCHEMBL795688 0.81 MEN1 (0.39) HPGDALDH1A1TDP1HTTMEN1
SCHEMBL795689 0.81 MEN1 (0.39) HPGDALDH1A1TDP1HTTMEN1
SCHEMBL7104073 0.78 ALDH1A1 (0.41) HPGDPOLBALDH1A1TDP1HTT
SCHEMBL7104075 0.78 ALDH1A1 (0.41) HPGDPOLBALDH1A1TDP1HTT
SCHEMBL5147274 0.76 HPGD (0.38) HPGDRAB9APOLBNCEH1MDM2
SCHEMBL5148279 0.76 ALDH1A1 (0.44) HPGDRAB9APOLBNCEH1MDM2
SCHEMBL6513683 0.74 HPGD (0.42) HPGDPOLBNCEH1ALDH1A1MEN1
SCHEMBL6884210 0.74 HPGD (0.37) HPGDRAB9APOLBNCEH1MDM2
SCHEMBL6513679 0.74 HPGD (0.42) HPGDPOLBNCEH1ALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115887-A4 PARALLEL SELEX INVENUX INC (US) 2002-07-17 EP disclosed
EP-1115887-A1 PARALLEL SELEX Invenux, Inc. (US) 2001-07-18 EP disclosed
WO-2000017398-A1 PARALLEL SELEX INVENUX, INC. (US) 2000-03-30 WO disclosed