SCHEMBL4274070

SCHEMBL4274070

O=C(CCC(=O)ON1C(=O)C2C3C=CC(C3)C2C1=O)ON1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.48
HTT P42858 3/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 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
SCHEMBL23476146 0.94 MAPK1 (0.59) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL11752804 0.93 MAPK1 (0.50) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL4278263 0.92 RAB9A (0.50) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL11298898 0.91 MAPK1 (0.48) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL13599620 0.91 MAPK1 (0.48) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL11304940 0.91 MAPK1 (0.48) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL15456601 0.88 MAPK1 (0.46) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL22672729 0.88 MAPK1 (0.46) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL22838008 0.87 ALDH1A1 (0.45) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL13764513 0.87 SMN1; SMN2 (0.49) MAPK1ALDH1A1TDP1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585925-B2 Method of producing a polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2009-09-08 US disclosed
US-7585925-B2 Method of producing a polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2009-09-08 US disclosed
US-7585925-B2 Method of producing a polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2009-09-08 US disclosed
US-20080058501-A1 Method of Producing a Polymer Network GOTTSCHALL KLAUS 2008-03-06 US disclosed
US-20080058501-A1 Method of Producing a Polymer Network GOTTSCHALL KLAUS 2008-03-06 US disclosed
US-20080058501-A1 Method of Producing a Polymer Network GOTTSCHALL KLAUS 2008-03-06 US disclosed
US-7291686-B1 Method of producing polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2007-11-06 US disclosed
US-7291686-B1 Method of producing polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2007-11-06 US disclosed
US-7291686-B1 Method of producing polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2007-11-06 US disclosed