SCHEMBL27616985

SCHEMBL27616985

CC1C[C@](C(=O)O)(C(C)(C)C)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
AR P10275 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
DDB1 Q16531 2/20 0.31
CRBN Q96SW2 2/20 0.31
KDM1A O60341 1/20 0.31
BUB1 O43683 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL21768492 0.81 GPR119 (0.35) MAPK1EPHX2CHRM2CHRM1CHRM3
SCHEMBL25434706 0.78 DDB1 (0.32) MAPK1EPHX2CHRM2CHRM1CHRM3
SCHEMBL14777493 0.78 DDB1 (0.32) MAPK1EPHX2CHRM2CHRM1CHRM3
SCHEMBL30073378 0.72 EPHX2 (0.33) MAPK1EPHX2CHRM2CHRM1CHRM3
SCHEMBL5792538 0.71 BUB1 (0.33) BUB1
SCHEMBL25784525 0.69 SMN1; SMN2 (0.35) MAPK1EPHX2
SCHEMBL14635333 0.66 BUB1 (0.33) MAPK1CHRM2CHRM1CHRM3GPR119
SCHEMBL27598573 0.65 BUB1 (0.32) BUB1
SCHEMBL28611968 0.65 CHRM2 (0.40) EPHX2CHRM2CHRM1CHRM3GPR119
SCHEMBL680915 0.64 RORC (0.44) GPR119KDM1A

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
CN-1633446-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease SCHERING CORP (US) 2005-06-29 CN disclosed