SCHEMBL2593245

SCHEMBL2593245

CCC(C(=O)O)C(=O)CC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.32
CA2 P00918 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ALDH1A1 P00352 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2592642 0.82 CHRM1 (0.44) MAPK1CA2TDP1CHRM1AKR1A1
SCHEMBL620326 0.74 FFAR3 (0.42) MAPK1CA2TDP1CHRM1AKR1A1
SCHEMBL2589271 0.73 TP53 (0.35)
Ethylmalonate SCHEMBL107241 0.73
SCHEMBL30364312 0.72 FFAR3 (0.40) MAPK1CA2TDP1CHRM1AKR1A1
SCHEMBL7532066 0.72 TSHR (0.42) MAPK1CA2TDP1CHRM1AKR1A1
SCHEMBL4824925 0.70 TDP1 (0.35) MAPK1CA2TDP1CHRM1AKR1A1
SCHEMBL7684983 0.70 LDHA (0.40) MAPK1CA2TDP1CHRM1AKR1A1
SCHEMBL96410 0.70 TSHR (0.38) MAPK1CA2TDP1CHRM1AKR1A1
SCHEMBL355794 0.70 TSHR (0.38) MAPK1CA2TDP1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220025411-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2022-01-27 US disclosed
US-20210147881-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2021-05-20 US disclosed
US-20200299736-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2020-09-24 US disclosed
EP-2566969-B1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2019-09-04 EP disclosed
US-20190127764-A1 MICROORGANISMS FOR PRODUCING BUTADIENE AND METHODS RELATED THERETO GENOMATICA INC (US) 2019-05-02 US disclosed
US-20190048366-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2019-02-14 US disclosed
US-10006055-B2 Microorganisms for producing butadiene and methods related thereto GENOMATICA, INC. (US) 2018-06-26 US disclosed
US-20180155742-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE AGAIN BIO APS (DK) 2018-06-07 US disclosed
US-9732361-B2 Microorganisms and methods for the biosynthesis of butadiene GENOMATICA, INC. (US) 2017-08-15 US disclosed
US-20170044572-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2017-02-16 US disclosed
EP-2670852-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE Genomatica, Inc. (US) 2013-12-11 EP disclosed
US-8580543-B2 Microorganisms and methods for the biosynthesis of butadiene GENOMATICA, INC. (US) 2013-11-12 US disclosed
CN-103080324-A Microorganisms and methods for butadiene biosynthesis GENOMATICA INC 2013-05-01 CN disclosed
EP-2566969-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE Genomatica, Inc. (US) 2013-03-13 EP disclosed
US-20130011891-A1 MICROORGANISMS FOR PRODUCING BUTADIENE AND METHODS RELATED THERETO GENOMATICA, INC. 2013-01-10 US disclosed
WO-2012177710-A1 MICROORGANISMS FOR PRODUCING BUTADIENE AND METHODS RELATED THERETO GENOMATICA, INC. (US) 2012-12-27 WO disclosed
US-20120225466-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA, INC. (US) 2012-09-06 US disclosed
WO-2012106516-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA, INC. (US) 2012-08-09 WO disclosed
US-20110300597-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE AGAIN BIO APS (DK) 2011-12-08 US disclosed
WO-2011140171-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA, INC. (US) 2011-11-10 WO disclosed