SCHEMBL10539694

SCHEMBL10539694

C/C(=C/C(=O)O)C(=O)O.C/C(=C/C(=O)O)C(=O)O.C/C(=C/C(=O)O)C(=O)O.CCCC[Sn]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
THRB P10828 1/20 0.37
PGGT1B P53609 1/20 0.37
EP300 Q09472 1/20 0.34
HTT P42858 1/20 0.33
PLA2G4A P47712 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
ALOX15 P16050 2/20 0.32
AKR1B1 P15121 1/20 0.32
CYP2C9 P11712 1/20 0.32
PPARG P37231 4/20 0.31
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
TSHR P16473 3/20 0.31
GPR84 Q9NQS5 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
SLC22A6 Q4U2R8 1/20 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
SCHEMBL4194420 0.92 FNTA (0.43) FNTAFNTBTHRBPGGT1BEP300
Dodecane SCHEMBL7149854 0.85 EP300 (0.47) FNTAFNTBTHRBPGGT1BEP300
Butane SCHEMBL2065960 0.83 HTT (0.39) HTTCYP2C9TSHRALDH1A1TDP1
SCHEMBL1255096 0.78 PPARD (0.33) FNTAFNTBTHRBPGGT1BEP300
Acetic Acid SCHEMBL2935215 0.78
Acetic Acid SCHEMBL674468 0.78 AKR1B1 (0.43) FNTAFNTBTHRBPGGT1BALOX15
SCHEMBL28517 0.78
SCHEMBL623108 0.78 HTT (0.45) HTTCYP2C9TSHRALDH1A1TDP1
SCHEMBL5894 0.78
SCHEMBL623803 0.78 HTT (0.45) HTTCYP2C9TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4849466-A LIGHT AND HEAT STABILITY WITH TETRAZOLE AND ORGANOMETALLIC COMPOUND CIBA-GEIGY CORPORATION (US) 1989-07-18 US disclosed