SCHEMBL419160

SCHEMBL419160

O=C(CC(=O)c1ccccc1)OO[PH](=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX15 P16050 1/20 0.53
CES1 P23141 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ERCC5 P28715 3/20 0.47
FEN1 P39748 3/20 0.47
PTPN1 P18031 2/20 0.47
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HIF1A Q16665 2/20 0.44
PLOD2 O00469 2/20 0.44
CYP2D6 P10635 2/20 0.44
PLOD3 O60568 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
SCHEMBL419159 0.88 KMT2A (0.55) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL636225 0.83 KMT2A (0.70) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL27912474 0.77 LMNA (0.67) KMT2AMAPK1MAPTTDP1CES1
SCHEMBL7034066 0.77 F2 (0.65) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL419161 0.77 KMT2A (0.59) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL3252460 0.75 KMT2A (0.70) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL3028695 0.74 KMT2A (0.67) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL275775 0.74 KMT2A (0.67) KMT2AMEN1CYP3A4HPGDMAPK1
SCHEMBL418955 0.72 KMT2A (0.53) KMT2AMEN1CYP3A4HPGDMAPK1
Dibenzoylmethane SCHEMBL39582 0.72 MEN1 (1.00) KMT2AMEN1CYP3A4HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220056488-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA INC (US) 2022-02-24 US disclosed
EP-3312284-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE Genomatica, Inc. (US) 2018-04-25 EP disclosed
EP-2607340-B1 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene GENOMATICA INC (US) 2017-09-06 EP disclosed
EP-2607340-A1 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene Genomatica, Inc. (US) 2013-06-26 EP disclosed
WO-2012018624-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA, INC. (US) 2012-02-09 WO disclosed
US-20120021478-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE AGAIN BIO APS (DK) 2012-01-26 US disclosed