SCHEMBL2494601

SCHEMBL2494601

CC(C)(C)OC(=O)N1C=CC[C@@]1(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.34
PREP P48147 1/20 0.34
BUB1 O43683 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
RORC P51449 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL15540502 0.77 CTSK (0.31) USP2SMN1; SMN2NR1H2
SCHEMBL1163659 0.77 CTSK (0.31) USP2SMN1; SMN2NR1H2
SCHEMBL2494815 0.76 PREP (0.39) GPR119PREPBUB1USP2SMN1; SMN2
SCHEMBL1565496 0.73 BUB1 (0.36) GPR119PREPBUB1USP2SMN1; SMN2
SCHEMBL28423661 0.71 BUB1 (0.36) GPR119BUB1USP2SMN1; SMN2NR1H2
SCHEMBL6188259 0.70 USP2 (0.38) GPR119PREPBUB1USP2SMN1; SMN2
SCHEMBL15405772 0.70 USP2 (0.38) GPR119PREPBUB1USP2SMN1; SMN2
SCHEMBL28831848 0.70 USP2 (0.38) GPR119PREPBUB1USP2SMN1; SMN2
SCHEMBL16594444 0.70 USP2 (0.38) GPR119PREPBUB1USP2SMN1; SMN2
SCHEMBL28150229 0.70 NR1H2 (0.33) USP2SMN1; SMN2NR1H2

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-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed