SCHEMBL13899286

SCHEMBL13899286

COC(=O)CN[C@@H](CC(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.38
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA9 Q16790 4/20 0.32
GPR88 Q9GZN0 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL474104 0.85 PREP (0.40) PREPHTTALDH1A1LMNACA12
SCHEMBL474105 0.85 PREP (0.40) PREPHTTALDH1A1LMNACA12
SCHEMBL4909924 0.85 PREP (0.40) PREPHTTALDH1A1LMNACA12
SCHEMBL1508406 0.75 PREP (0.42) PREPHTTALDH1A1LMNACA12
SCHEMBL13899358 0.74 PREP (0.38) PREPCA12CA1CA9NPSR1
SCHEMBL7237737 0.74 PREP (0.41) PREPHTTALDH1A1LMNACA12
SCHEMBL7455145 0.74 PREP (0.41) PREPHTTALDH1A1LMNACA12
SCHEMBL13899285 0.73 AAK1 (0.49) LMNAKMT2A
SCHEMBL10827924 0.72 PREP (0.42) PREPCA12CA1CA9NPSR1
SCHEMBL13899562 0.72 PREP (0.34) PREPCYP1A2CYP2C19KMT2A

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
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed