SCHEMBL25864470

SCHEMBL25864470

CC(C)(C)OC(=O)N1CCC(c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.52
FAAH O00519 1/20 0.51
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
MGLL Q99685 2/20 0.49
NAMPT P43490 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
TP53 P04637 2/20 0.46
LIPE Q05469 1/20 0.46
HCRTR2 O43614 1/20 0.46
STS P08842 1/20 0.46
PDE4B Q07343 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL30567993 0.93 PDE4B (0.53) GPR119BCL9CTNNB1MGLLMAPT
SCHEMBL23212068 0.93 PDE4B (0.53) GPR119BCL9CTNNB1MGLLMAPT
SCHEMBL30567996 0.93 PDE4B (0.53) GPR119BCL9CTNNB1MGLLMAPT
SCHEMBL21384745 0.93 PDE4B (0.53) GPR119BCL9CTNNB1MGLLMAPT
SCHEMBL29849889 0.88 RORC (0.48) GPR119BCL9CTNNB1MGLLKDM4E
SCHEMBL20757253 0.88 RORC (0.48) GPR119BCL9CTNNB1MGLLKDM4E
SCHEMBL18618449 0.87 MEN1 (0.56) GPR119NAMPTMAPTKDM4ETHRB
SCHEMBL29470023 0.86 MGLL (0.58) GPR119MGLLNAMPTLIPE
SCHEMBL23868006 0.86 MGLL (0.58) GPR119MGLLNAMPTLIPE
SCHEMBL4183397 0.85 GPR119 (0.61) GPR119FAAHNAMPTMAPTKDM4E

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-2023140709-A1 OXAZOLE DERIVATIVE COMPOUND HAVING ANTIBACTERIAL ACTIVITY AND MEDICAL USE THEREOF 재단법인 한국파스퇴르연구소 2023-07-27 WO disclosed