SCHEMBL30745396

SCHEMBL30745396

COC(C)(OC)c1cccc(Cl)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
KAT2B Q92831 1/20 0.33
CCR4 P51679 1/20 0.33
NR3C1 P04150 2/20 0.32
NR3C2 P08235 2/20 0.32
CCR2 P41597 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CFD P00746 1/20 0.32
MAPK10 P53779 1/20 0.31
MAPK14 Q16539 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.30
PGR P06401 1/20 0.30
CA2 P00918 1/20 0.30
HSD11B1 P28845 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
SCHEMBL3199855 0.79 KCNN4 (0.42) HSD11B1PDK1PDK2PDK3PDK4
SCHEMBL8225791 0.79 CA2 (0.44) IDO1KAT2BCCR2CFDPTGES2
SCHEMBL12373152 0.78 P2RX7 (0.35) IDO1KAT2BCCR2CFDPTGES2
SCHEMBL30148352 0.76 PDK1 (0.39) NR3C1NR3C2CFDPGRCA2
SCHEMBL16579358 0.76 KCNN4 (0.39) IDO1KAT2BCCR2CFDPTGES2
SCHEMBL20079605 0.76 CFD (0.33) IDO1KAT2BCCR2CFDPTGES2
SCHEMBL11837116 0.76 P2RX7 (0.38) IDO1KAT2BCCR2CFDPTGES2
SCHEMBL10748080 0.74 TSHR (0.39) IDO1KAT2BCFDPTGES2CYP1A2
Hydrochloric Acid SCHEMBL31409893 0.74 KCNN4 (0.38) IDO1KAT2BCCR2CFDPTGES2
SCHEMBL1626668 0.74 PLCG1 (0.44) SMN1; SMN2PDK1PDK2PDK3PDK4

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-117545748-A Benzimidazolyl GLP-1GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods of use thereof 卡莫特医疗有限公司 2024-02-09 CN disclosed