SCHEMBL7713657

SCHEMBL7713657

CCC/C(O)=C(/C)C(=O)O.CCCC/C(O)=C(/C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.50
FNTB P49356 2/20 0.50
THRB P10828 1/20 0.50
PGGT1B P53609 1/20 0.50
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
ALDH1A1 P00352 3/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
FFAR3 O14843 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39

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
SCHEMBL1278168 0.95 FNTA (0.54) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL152164 0.95 FNTA (0.54) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL11783133 0.91 HDAC3 (0.48) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL2568642 0.91 HDAC3 (0.48) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL16664 0.91 HDAC3 (0.48) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL3361701 0.88 FNTA (0.63) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL6274519 0.88 FNTA (0.63) FNTAFNTBTHRBPGGT1BCES1
Phosphoric Acid SCHEMBL10477809 0.87 FNTA (0.47) FNTAFNTBTHRBPGGT1BCES1
Phosphoric Acid SCHEMBL10477803 0.87 FNTA (0.47) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL3680940 0.86 FNTA (0.67) FNTAFNTBTHRBPGGT1BCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389295-B1 RUBBER MIXTURES CONTAINING SILANE AND HAVING POSSIBLY FUNCTIONALIZED DIENE RUBBERS AND MICROGELS, A METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2014-06-11 EP disclosed
US-6376559-B1 SILICA SOL IN SOLVENT BASF NOF COATINGS CO., LTD. (JP) 2002-04-23 US disclosed
US-6022919-A INTERPOLYMER OF (METH)ACRYLATE, UNSATURATED ALCOHOL AND UNSATURATED CARBOXYLIC ACID; BLOCKED OR UNBLOCKED POLYISOCYANATE OR AMINO RESIN NOF CORPORATION (JP) 2000-02-08 US disclosed