SCHEMBL419273

SCHEMBL419273

Cc1ccc(C(=O)OOP(=O)(OOC(=O)c2ccc(C)cc2)OOC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 7/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 2/20 0.42
HTT P42858 2/20 0.42
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 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
SCHEMBL28676603 0.88 CYP3A4 (0.58) TDP1ALDH1A1GAALMNACES2
SCHEMBL419274 0.86 TDP1 (0.53) TDP1ALDH1A1GAALMNACES2
SCHEMBL28676538 0.84 CYP3A4 (0.49) TDP1ALDH1A1GAALMNACES2
SCHEMBL64626 0.83 TDP1 (0.70) TDP1ALDH1A1GAALMNACES2
SCHEMBL10634048 0.81 TDP1 (0.67) TDP1ALDH1A1GAALMNACES2
SCHEMBL28678889 0.80 CYP3A4 (0.48) TDP1ALDH1A1GAALMNACES2
SCHEMBL28674015 0.80 TSHR (0.53) TDP1ALDH1A1LMNACES2CES1
SCHEMBL28672735 0.80 CYP3A4 (0.49) TDP1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7895149 0.79 TDP1 (0.59) TDP1ALDH1A1GAALMNACES2
SCHEMBL28678893 0.79 CYP3A4 (0.47) TDP1ALDH1A1SMN1; SMN2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929798-B Solid catalyst component and catalyst system for olefin polymerization 中国石油化工股份有限公司 2023-07-21 CN claimed
CN-113929797-B Solid catalyst component and catalyst system for producing polymers 中国石油化工股份有限公司 2023-07-21 CN claimed
CN-113929799-B Catalyst component for olefin polymerization, catalyst system and use 中国石油化工股份有限公司 2023-05-09 CN claimed
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 CN claimed
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
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