SCHEMBL11208113

SCHEMBL11208113

COC(=O)C(=O)C(Sc1ccccc1)(Sc1ccccc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
SRC P12931 1/20 0.41
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CES2 O00748 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.34
MAPK1 P28482 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.33
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
MEN1 O00255 1/20 0.33
TUBB4A P04350 1/20 0.33

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
SCHEMBL2950028 0.75 KCNN4 (0.50) KCNN4SRCMAPTTSHRELANE
SCHEMBL11207355 0.74 LMNA (0.44) TSHRALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL29081072 0.74 ALDH1A1 (0.52) KCNN4SRCMAPTTSHRELANE
SCHEMBL11208198 0.72 ALDH1A1 (0.47) MAPTTSHRL3MBTL1ALDH1A1CES2
SCHEMBL11201978 0.69 LMNA (0.43) KCNN4MAPTL3MBTL1ALDH1A1CES1
SCHEMBL17335274 0.69 TSHR (0.45) KCNN4TSHRL3MBTL1ALDH1A1KMT2A
SCHEMBL11265491 0.67 FFAR1 (0.38) MAPTTSHRALDH1A1CES2CES1
SCHEMBL11264686 0.67 ALDH1A1 (0.42) MAPTTSHRL3MBTL1ALDH1A1CES2
SCHEMBL10388954 0.67 POLB (0.41) KCNN4SRCMAPTELANEL3MBTL1
SCHEMBL6688633 0.66 MAPT (0.43) KCNN4MAPTTSHRL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029719-B1 VULCANIZABLE RUBBER COMPOSITIONS INHIBITED FROM PREMATURE VULCANIZATION BY METHYLENE THIOETHERS, AND NOVEL METHYLENE THIOETHERS MONSANTO COMPANY (US) 1983-02-16 EP disclosed
US-4342705-A CONTAINING CARBONYL OR CYANO FUNCTIONAL GROUPS, USEFUL AS VULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1982-08-03 US disclosed
EP-0029719-A1 Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers, and novel methylene thioethers MONSANTO COMPANY (US) 1981-06-03 EP disclosed
US-4271050-A Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers MONSANTO COMPANY (US) 1981-06-02 US disclosed