SCHEMBL13733342

SCHEMBL13733342

C[Si](C)(C)CCOCn1cc(C(=O)O)nc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.41
KLKB1 P03952 4/20 0.40
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.30
F11 P03951 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
SCHEMBL20055477 0.83 KLKB1 (0.36) DGAT1KLKB1
SCHEMBL13734316 0.83 DGAT1 (0.58) DGAT1KLKB1F11
SCHEMBL692594 0.80 DGAT1 (0.45) DGAT1KLKB1MAPTNPC1
SCHEMBL13734146 0.79 DGAT1 (0.40) DGAT1KLKB1MAPTNPC1F11
SCHEMBL205729 0.78 ALDH1A1 (0.41) MAPT
SCHEMBL2706305 0.78 ALDH1A1 (0.41) MAPT
SCHEMBL13732158 0.78 DGAT1 (0.39) DGAT1KLKB1MAPTNPC1
SCHEMBL27094134 0.78 DGAT1 (0.39) DGAT1KLKB1MAPTNPC1
SCHEMBL16330879 0.78 DGAT1 (0.39) DGAT1KLKB1MAPTNPC1F11
SCHEMBL17592021 0.78 DGAT1 (0.44) DGAT1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 EP disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed