SCHEMBL30744853

SCHEMBL30744853

CCOc1cc(C(=O)O)nc2c(F)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ALOX15 P16050 1/20 0.45
FDPS P14324 1/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR35 Q9HC97 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GRM2 Q14416 1/20 0.41
AURKA O14965 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
AR P10275 1/20 0.40
P2RY12 Q9H244 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 1/20 0.39

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
SCHEMBL9380983 0.87 KDM4E (0.53) ALOX15GPR35KDM4EGRM2AURKA
SCHEMBL1813184 0.85 ALOX15 (0.46) ALOX15FDPSGPR35KDM4EPDE4A
SCHEMBL30421043 0.85 ALOX15 (0.62) ADORA2AADORA1ALOX15L3MBTL1GPR35
SCHEMBL30744835 0.82 ALOX15 (0.45) ADORA2AALOX15FDPSGPR35KDM4E
SCHEMBL1812761 0.81 ALOX15 (0.42) ALOX15FDPSGPR35KDM4EPDE4A
SCHEMBL18528819 0.79 ALOX15 (0.70) ALOX15KDM4EP2RY12LMNATP53
SCHEMBL31389285 0.79 ALOX15 (0.70) ALOX15KDM4EP2RY12LMNATP53
SCHEMBL30744928 0.78 GRM2 (0.43) ADORA2AADORA1ALOX15KDM4EGRM2
SCHEMBL30744879 0.77 KDM4E (0.51) ADORA2AADORA1ALOX15GPR35KDM4E
SCHEMBL31529365 0.77 ADORA1 (0.55) ADORA2AADORA1L3MBTL1KDM4EAURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed