SCHEMBL6757032

SCHEMBL6757032

COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 3/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
PYGL P06737 1/20 0.51
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TBXA2R P21731 1/20 0.47
USP10 Q14694 1/20 0.46
HSPB1 P04792 1/20 0.46

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
SCHEMBL6587408 0.91 CTSV (0.58) ALDH1A1NPSR1POLBMEN1KMT2A
SCHEMBL9096671 0.88 TDP1 (0.59) ALDH1A1NPSR1MEN1KMT2APYGL
SCHEMBL5214818 0.88 MAPT (0.56) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL9234021 0.87 ALDH1A1 (0.52) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL6757005 0.86 PYGL (0.56) ALDH1A1NPSR1HPGDPOLBMEN1
SCHEMBL3509871 0.86 MEN1 (0.68) ALDH1A1NPSR1HPGDPOLBMEN1
SCHEMBL31504041 0.83 POLB (0.69) ALDH1A1NPSR1POLBMEN1KMT2A
SCHEMBL570064 0.82 TDP1 (0.57) ALDH1A1POLBMEN1KMT2APKM
SCHEMBL28490919 0.81 TDP1 (0.48) ALDH1A1NPSR1MEN1KMT2APYGL
SCHEMBL30317914 0.81 TDP1 (0.48) ALDH1A1NPSR1MEN1KMT2APYGL

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-6720424-B1 VEGF (VASCULAR ENDOTHELIAL GROWTH FACTOR) RECEPTOR ANTAGONISTS AND ANGIOGENESIS INHIBITORS SUPPRESS VASCULAR HYPERPERMEABILITY; PHENYLALKYLCARBONYL SUBSTITUENT ON THE AMINO TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-04-13 US disclosed
EP-1193246-A1 AMINOBENZOIC ACID DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-04-03 EP disclosed