SCHEMBL752348

SCHEMBL752348

C[Si](C)(C)CCOCn1cc(Br)nc1C1CCCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.35
KLKB1 P03952 1/20 0.34
CPT1A P50416 2/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
CPT2 P23786 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
SCHEMBL2707411 0.88 ALDH1A1 (0.41) TP53MAPT
SCHEMBL203341 0.88 ALDH1A1 (0.41) TP53MAPT
SCHEMBL2706107 0.88 ALDH1A1 (0.41) TP53MAPT
SCHEMBL28059729 0.86 KLKB1 (0.33) DGAT1KLKB1TP53MAPT
SCHEMBL13132687 0.85 AADAT (0.43) DGAT1
SCHEMBL12332405 0.83 DGAT1 (0.38) DGAT1
SCHEMBL933739 0.81 CCR1 (0.38) DGAT1KLKB1CPT1ACPT2
SCHEMBL933198 0.81 CCR1 (0.38) DGAT1KLKB1CPT1ACPT2
SCHEMBL933196 0.79 MAPT (0.32) DGAT1CPT1ATP53MAPTCPT2
SCHEMBL933195 0.79 MAPT (0.32) DGAT1CPT1ATP53MAPTCPT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed