SCHEMBL20142085

SCHEMBL20142085

CC(C)(C)C1(C)CN(c2cccc3ccn(COCC[Si](C)(C)C)c23)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.30
DGAT1 O75907 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
SCHEMBL20141790 0.85 SLC16A3 (0.33) DGAT1
SCHEMBL20141795 0.81 DGAT1 (0.32) KLKB1DGAT1
SCHEMBL20142084 0.73 MAP4K4 (0.41)
SCHEMBL20159137 0.69 BRD4 (0.34) KLKB1DGAT1
SCHEMBL4503124 0.67 ADRA2A (0.43) KLKB1DGAT1
SCHEMBL30018075 0.66 DGAT1 (0.38) DGAT1
SCHEMBL6030125 0.66 DGAT1 (0.40) DGAT1
SCHEMBL6028923 0.65 USP2 (0.35) DGAT1
SCHEMBL5730300 0.65 DGAT1 (0.33) DGAT1
SCHEMBL15823309 0.64 DGAT1 (0.34) 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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed