SCHEMBL4880508

SCHEMBL4880508

C=C(C)C(=O)ONC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
ELANE P08246 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 1/20 0.44
ALOX15 P16050 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL28499075 0.81 ALDH1A1 (0.54) ALDH1A1MAPTKMT2APOLBNPC1
SCHEMBL2310273 0.81 ALDH1A1 (0.68) ALDH1A1MAPTKMT2APOLBELANE
SCHEMBL27693699 0.79 ALDH1A1 (0.66) ALDH1A1MAPTKMT2APOLBNPC1
SCHEMBL13479831 0.79 ALDH1A1 (0.66) ALDH1A1MAPTKMT2APOLBNPC1
SCHEMBL23943448 0.79 NPSR1 (0.48) ALDH1A1MAPTKMT2APOLBELANE
SCHEMBL28804345 0.77 SMN1; SMN2 (0.53) ALDH1A1MAPTKMT2APOLBNPC1
SCHEMBL10424594 0.77 ALDH1A1 (0.73) ALDH1A1MAPTKMT2APOLBNPC1
SCHEMBL5809526 0.75 ALDH1A1 (1.00) ALDH1A1MAPTKMT2APOLBNPC1
SCHEMBL6634904 0.75 ALDH1A1 (0.70) ALDH1A1MAPTKMT2APOLBNPC1
SCHEMBL22373759 0.75 SMN1; SMN2 (0.50) ALDH1A1MAPTPOLBELANENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666551-B1 Ink for ink jet-recording curable through irradiation and method for preparing lithographic printing plates using the same FUJIFILM CORP (JP) 2010-02-17 EP disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-20080058235-A1 Lubricative Composition for Industrial Machinery and Equipment NIPPON OIL CORPORATION (JP) 2008-03-06 US disclosed
EP-1734103-A1 LUBRICATING OIL COMPOSITION FOR INDUSTRIAL MACHINERY AND EQUIPMENT Nippon Oil Corporation (JP) 2006-12-20 EP disclosed