SCHEMBL14640259

SCHEMBL14640259

COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 2/20 0.32
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL2671553 1.00 MEN1 (0.34) MEN1MAPK1KMT2ARORCCA12
SCHEMBL296313 0.90 MEN1 (0.35) MEN1MAPK1KMT2ARORC
SCHEMBL296096 0.88 MEN1 (0.32) MEN1MAPK1KMT2ACA12CA14
SCHEMBL3179619 0.88 MEN1 (0.32) MEN1MAPK1KMT2ACA12CA14
SCHEMBL6012170 0.88 MEN1 (0.32) MEN1MAPK1KMT2ACA12CA14
SCHEMBL20525509 0.85 MEN1 (0.36) MEN1MAPK1KMT2ACA12CA14
SCHEMBL12557596 0.84 ALDH1A1 (0.31)
SCHEMBL14409089 0.83
SCHEMBL5200381 0.83
SCHEMBL7932729 0.81 MEN1 (0.32) MEN1MAPK1KMT2ARORCCA12

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-2007001958-A2 STEREOSELECTIVE SYNTHESIS OF AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 2007-01-04 WO disclosed