SCHEMBL420256

SCHEMBL420256

Cc1ccc(C(=O)OO[PH](=O)OOC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 8/20 0.48
LMNA P02545 3/20 0.48
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.44
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
NLRP1 Q9C000 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
NTSR1 P30989 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SRD5A2 P31213 1/20 0.42

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
SCHEMBL420257 0.86 TDP1 (0.55) TDP1ALDH1A1LMNACES2CES1
SCHEMBL64626 0.84 TDP1 (0.70) TDP1ALDH1A1LMNACES2CES1
SCHEMBL10634048 0.82 TDP1 (0.67) TDP1ALDH1A1LMNACES2CES1
SCHEMBL420258 0.81 TDP1 (0.59) TDP1ALDH1A1LMNACES2CES1
SCHEMBL29094091 0.78 TDP1 (0.61) TDP1ALDH1A1LMNACES2CES1
SCHEMBL7675869 0.77 TDP1 (0.59) TDP1ALDH1A1LMNACES2CES1
SCHEMBL7631551 0.77 TDP1 (0.59) TDP1ALDH1A1LMNACES2CES1
SCHEMBL22774179 0.77 TDP1 (0.59) TDP1ALDH1A1LMNACES2CES1
SCHEMBL6554993 0.77 LMNA (0.74) TDP1ALDH1A1LMNACES2CES1
SCHEMBL7631694 0.77 TDP1 (0.59) TDP1ALDH1A1LMNACES2CES1

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