SCHEMBL1300976

SCHEMBL1300976

CCC/C(C(=O)C(=O)O)=C(/C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
THRB P10828 1/20 0.52
PGGT1B P53609 1/20 0.52
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
FFAR3 O14843 3/20 0.42
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TSHR P16473 5/20 0.35
ALDH1A1 P00352 3/20 0.33
AKR1B1 P15121 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARG P37231 6/20 0.31
PPARD Q03181 6/20 0.31
PPARA Q07869 6/20 0.31
HDAC11 Q96DB2 5/20 0.31
GPR84 Q9NQS5 4/20 0.31

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
SCHEMBL555674 0.85 FNTA (0.68) FNTAFNTBTHRBPGGT1BHDAC3
SCHEMBL555677 0.85 FNTA (0.68) FNTAFNTBTHRBPGGT1BHDAC3
SCHEMBL166087 0.85 FNTA (0.68) FNTAFNTBTHRBPGGT1BHDAC3
SCHEMBL2122443 0.85 FNTA (0.47) FNTAFNTBTHRBPGGT1BHDAC3
SCHEMBL732787 0.83 FNTA (0.54) FNTAFNTBTHRBPGGT1BHDAC3
SCHEMBL1300238 0.80 FNTA (0.45) FNTAFNTBTHRBPGGT1BFFAR3
SCHEMBL554602 0.73 HDAC3 (0.56) FNTAFNTBTHRBPGGT1BHDAC3
SCHEMBL184432 0.73 HDAC3 (0.56) FNTAFNTBTHRBPGGT1BHDAC3
SCHEMBL554603 0.73 HDAC3 (0.56) FNTAFNTBTHRBPGGT1BHDAC3
SCHEMBL3841638 0.72 HDAC3 (0.48) FNTAFNTBTHRBPGGT1BHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
EP-2563926-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE Genomatica, Inc. (US) 2013-03-06 EP disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
WO-2011137198-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE GENOMATICA, INC. (US) 2011-11-03 WO disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed