SCHEMBL458571

SCHEMBL458571

CCCCc1ccc(CCC(=O)O)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
NFKB1 P19838 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
KDM4E B2RXH2 2/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
THPO P40225 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
KMT2A Q03164 1/20 0.60
HIF1A Q16665 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HPGD P15428 2/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL2563630 0.89 P4HTM (0.56) ALDH1A1NFKB1L3MBTL1KDM4ELMNA
SCHEMBL18795088 0.88 ALDH1A1 (0.57) ALDH1A1NFKB1L3MBTL1KDM4ELMNA
SCHEMBL8414096 0.87 P4HTM (0.66) L3MBTL1LMNAP4HTMFFAR1FFAR4
SCHEMBL24248047 0.85 FFAR1 (0.53) ALDH1A1NFKB1L3MBTL1KDM4ELMNA
SCHEMBL25962063 0.84 RARB (0.55) ALDH1A1NFKB1KDM4EMEN1MAPT
SCHEMBL11656517 0.83 HDAC3 (0.53) ALDH1A1NFKB1L3MBTL1KDM4ELMNA
SCHEMBL22652852 0.82 P4HTM (0.60) ALDH1A1NFKB1L3MBTL1KDM4ELMNA
SCHEMBL24081206 0.81 NFKB1 (0.54) ALDH1A1NFKB1L3MBTL1KDM4ELMNA
SCHEMBL20411973 0.80 NFKB1 (0.53) ALDH1A1NFKB1L3MBTL1KDM4ELMNA
SCHEMBL1206307 0.79 ALDH1A1 (0.71) ALDH1A1L3MBTL1LMNAHPGDHSD17B10

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190174-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID Genomatica, Inc. (US) 2017-07-12 EP claimed
EP-2462221-B1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA INC (US) 2017-02-22 EP claimed
EP-2462221-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID Genomatica, Inc. (US) 2012-06-13 EP claimed
US-20110124911-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA, INC. 2011-05-26 US claimed
WO-2011017560-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA, INC. (US) 2011-02-10 WO claimed
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
US-10415063-B2 Semi-synthetic terephthalic acid via microorganisms that produce muconic acid GENOMATICA, INC. (US) 2019-09-17 US disclosed
US-10415063-B2 Semi-synthetic terephthalic acid via microorganisms that produce muconic acid GENOMATICA, INC. (US) 2019-09-17 US disclosed
US-20180312883-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA, INC. 2018-11-01 US disclosed
US-20180312883-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA, INC. 2018-11-01 US disclosed
US-10041093-B2 Semi-synthetic terephthalic acid via microorganisms that produce muconic acid GENOMATICA, INC. (US) 2018-08-07 US disclosed
EP-2462221-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID Genomatica, Inc. (US) 2012-06-13 EP disclosed
EP-2462221-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID Genomatica, Inc. (US) 2012-06-13 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
US-20110124911-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA, INC. 2011-05-26 US disclosed
US-20110124911-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA, INC. 2011-05-26 US disclosed
WO-2011017560-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA, INC. (US) 2011-02-10 WO disclosed
WO-2011017560-A1 SEMI-SYNTHETIC TEREPHTHALIC ACID VIA MICROORGANISMS THAT PRODUCE MUCONIC ACID GENOMATICA, INC. (US) 2011-02-10 WO disclosed