SCHEMBL19974088

SCHEMBL19974088

CC(C)(C)OC(=O)N[C@H]([C]=O)CCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSK P43235 12/20 0.40
CTSS P25774 6/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP2D6 P10635 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2427380 1.00 CA1 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL7302322 0.86 CTSK (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL2403757 0.86 CTSK (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL3498485 0.86 CYP2D6 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL6633918 0.84 CTSK (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL27926619 0.84 CTSK (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL9515168 0.82 CTSK (0.52) CA1CA2CA7CTSKCTSS
SCHEMBL27535461 0.81 CTSK (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL11037307 0.80 ITGB3 (0.40) CA1CA2CA7CTSKCTSS
SCHEMBL3851080 0.80 ITGB3 (0.40) CA1CA2CA7CTSKCTSS

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-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS 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-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed