SCHEMBL418955

SCHEMBL418955

O=C(CC(=O)c1ccccc1)OOP(=O)(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
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX15 P16050 1/20 0.53
CES1 P23141 1/20 0.53
PTPN1 P18031 2/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
NPC1 O15118 4/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
HIF1A Q16665 2/20 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
SCHEMBL636225 0.83 KMT2A (0.70) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL417246 0.82 KMT2A (0.57) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL7034066 0.77 F2 (0.65) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL3252460 0.75 KMT2A (0.70) KMT2AMEN1HPGDSMN1; SMN2MAPT
Dibenzoylmethane SCHEMBL29509032 0.74 MEN1 (0.94) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL419159 0.74 KMT2A (0.55) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL275775 0.74 KMT2A (0.67) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL3028695 0.74 KMT2A (0.67) KMT2AMEN1HPGDSMN1; SMN2MAPT
Dibenzoylmethane SCHEMBL27607859 0.72 KMT2A (0.90) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL419160 0.72 KMT2A (0.53) KMT2AMEN1HPGDSMN1; SMN2MAPT

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 11 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
US-10793882-B2 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene GENOMATICA, INC. (US) 2020-10-06 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
US-20170335352-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE AGAIN BIO APS (DK) 2017-11-23 US 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
US-9556461-B2 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene GENOMATICA, INC. (US) 2017-01-31 US disclosed
US-20150064750-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA, INC. (US) 2015-03-05 US disclosed
US-8715957-B2 Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene GENOMATICA, INC. (US) 2014-05-06 US 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