SCHEMBL6129227

SCHEMBL6129227

CCCOC(=O)/C=C(/C(=O)OCCC)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.44
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
APP P05067 1/20 0.33
PRKCA P17252 1/20 0.33
ALOX5 P09917 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6129228 1.00 HCAR2 (0.44) HCAR2ATMNPSR1HPGDTSHR
SCHEMBL16160088 0.86 HCAR2 (0.39) HCAR2ATMNPSR1HPGDTSHR
SCHEMBL234358 0.81 NPSR1 (0.59) HCAR2NPSR1TSHRPRKCASMN1; SMN2
SCHEMBL234359 0.81 NPSR1 (0.59) HCAR2NPSR1TSHRPRKCASMN1; SMN2
SCHEMBL15482530 0.77 HCAR2 (0.47) HCAR2ATMNPSR1HPGDTSHR
SCHEMBL29220345 0.76 TSHR (0.52) NPSR1HPGDTSHRPRKCASMN1; SMN2
SCHEMBL16160127 0.76 ATM (0.48) HCAR2ATMNPSR1HPGDTSHR
SCHEMBL29374091 0.75 HCAR2 (0.48) HCAR2ATMNPSR1HPGDTSHR
SCHEMBL20530243 0.75 HCAR2 (0.48) HCAR2ATMNPSR1HPGDTSHR
SCHEMBL15482431 0.74 HCAR2 (0.44) HCAR2ATMNPSR1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846888-B2 Stabilized with a dialkyl maleate; suitable for making polyvinyl chloride for food contact use ATOFINA CHEMICALS, INC. (US) 2005-01-25 US disclosed
EP-1231206-B1 Stabilized organic peroxidicarbonate compositions ATOFINA CHEM INC (US) 2004-03-17 EP disclosed
US-20020177678-A1 Stabilized with a dialkyl maleate; suitable for making polyvinyl chloride for food contact use ATOFINA CHEMICALS, INC. 2002-11-28 US disclosed
EP-1231206-A1 Stabilized organic peroxidicarbonate compositions Atofina Chemicals, Inc. (US) 2002-08-14 EP disclosed
US-6399728-B1 USING UNSATURATED DIESTER ATOFINA CHEMICALS, INC. 2002-06-04 US disclosed