SCHEMBL4794283

SCHEMBL4794283

COC(=O)[C@@](N)(CCBr)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL4794280 1.00 DGAT1 (0.48) DGAT1CA12CA2CA14
SCHEMBL27575604 0.85 DGAT1 (0.48) DGAT1CA12CA2CA14
SCHEMBL28842397 0.85 DGAT1 (0.48) DGAT1CA12CA2CA14
SCHEMBL27966695 0.85 DGAT1 (0.48) DGAT1CA12CA2CA14
SCHEMBL27703128 0.85 DGAT1 (0.35) DGAT1
SCHEMBL27706532 0.84 CYP4F2 (0.37) DGAT1
SCHEMBL27801427 0.83 DGAT1 (0.50) DGAT1CA12CA2CA14
SCHEMBL11126560 0.82 DGAT1 (0.46) DGAT1
SCHEMBL5027322 0.82 DGAT1 (0.46) DGAT1
SCHEMBL27481413 0.82 DGAT1 (0.46) DGAT1

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-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed