SCHEMBL8604104

SCHEMBL8604104

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.43
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
GRIK1 P39086 5/20 0.36
GRIK2 Q13002 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
CPB1 P15086 1/20 0.34
ABAT P80404 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
EP300 Q09472 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL11842601 1.00 FFAR3 (0.43) FFAR3ALDH1A1CYP2D6ALOX15GRIK1
SCHEMBL1820656 0.79 TET2 (0.38) FFAR3ALDH1A1ALOX15GRIK1GRIK2
SCHEMBL1875407 0.79
SCHEMBL27045 0.79
SCHEMBL800055 0.79
SCHEMBL158310 0.78 FFAR3 (0.44) FFAR3ALDH1A1GRIK1GRIK2KDM4E
SCHEMBL17706754 0.78 AKR1B1 (0.43) ALDH1A1ALOX15GRIK1TSHREP300
SCHEMBL17706757 0.78 AKR1B1 (0.43) ALDH1A1ALOX15GRIK1TSHREP300
SCHEMBL17706761 0.78 AKR1B1 (0.43) ALDH1A1ALOX15GRIK1TSHREP300
SCHEMBL21635662 0.77 GRIK1 (0.52) FFAR3ALDH1A1GRIK1GRIK2KDM4E

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
US-5770303-A POLYVINYL ESTER FIRST STAGE LATEX PARTICLES IN SEPARATE PHASE SECOND STAGE LATEX COMPRISING UNSATURATED ACID AND VINYL AROMATIC COMPOUND AND/OR CONJUGATED DIENE; BINDERS, PAPER COATING, NONAGGLOMERATING GENCORP INC. (US) 1998-06-23 US disclosed
US-5286624-A Indicator layer contains polyvinyl alkyl ether as binder polymer FUJI PHOTO FILM CO., LTD. (JP) 1994-02-15 US disclosed
US-3983230-A HALF ESTERS WITH DICARBOXYLIC ACIDS, MEDICAMENTS SHIONOGI & CO., LTD. (JA) 1976-09-28 US disclosed