SCHEMBL19974086

SCHEMBL19974086

CC(C)(C)OC(=O)NC(=O)CCC(N)[C]=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
APLNR P35414 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CTSK P43235 10/20 0.34
CTSS P25774 5/20 0.34
TDP1 Q9NUW8 1/20 0.32
LTA4H P09960 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
SCHEMBL11016322 0.79 SLC1A1 (0.44) MEN1GAAKMT2AAPLNRLTA4H
SCHEMBL2580333 0.79 SLC1A1 (0.44) MEN1GAAKMT2AAPLNRLTA4H
SCHEMBL4954829 0.79 SLC1A1 (0.44) MEN1GAAKMT2AAPLNRLTA4H
SCHEMBL11363509 0.76 CYP2D6 (0.34)
SCHEMBL27701546 0.76 CA1 (0.38) MEN1GAAKMT2AAPLNRCA1
SCHEMBL17338702 0.74 APLNR (0.39) MEN1GAAKMT2AAPLNRCA1
SCHEMBL22186264 0.74 CTSK (0.42) CA1CA2CA7CTSKCTSS
SCHEMBL20288786 0.72 CA1 (0.43) MEN1GAAKMT2AAPLNRCA1
SCHEMBL3392904 0.72 LMNA (0.40)
SCHEMBL28755464 0.71 MAOA (0.45) MEN1GAAKMT2AAPLNRCA1

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
CN-109715605-B Process for preparing carotenoid monoesters 巴斯夫欧洲公司 2022-04-12 CN disclosed
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed