SCHEMBL6253901

SCHEMBL6253901

O=C(O)NCCCCCCCCCO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
GPR84 Q9NQS5 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
EPHX1 P07099 1/20 0.46
PRMT1 Q99873 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAAA Q02083 1/20 0.43
EPHX2 P34913 2/20 0.43
ACHE P22303 5/20 0.42

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
SCHEMBL6253782 1.00 TDP1 (0.50) TDP1CA1CA2CA12CA9
SCHEMBL4235227 1.00 TDP1 (0.50) TDP1CA1CA2CA12CA9
SCHEMBL445647 1.00 TDP1 (0.50) TDP1CA1CA2CA12CA9
SCHEMBL6253810 1.00 TDP1 (0.50) TDP1CA1CA2CA12CA9
SCHEMBL11050266 1.00 TDP1 (0.50) TDP1CA1CA2CA12CA9
SCHEMBL28168552 1.00 TDP1 (0.50) TDP1CA1CA2CA12CA9
SCHEMBL1310407 1.00 TDP1 (0.50) TDP1CA1CA2CA12CA9
SCHEMBL380758 0.97
SCHEMBL629320 0.89
SCHEMBL15871737 0.89 KDM4E (0.55) CA1CA2CA12CA9KDM4E

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
WO-2005047234-A1 METHOD FOR PRODUCING CARBAMATE GROUP-CONTAINING (METH)ACRYLIC ESTERS Röhm GmbH & Co. KG (DE) 2005-05-26 WO disclosed