SCHEMBL30740955

SCHEMBL30740955

CCOC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(C(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GCGR P47871 2/20 0.38
MLYCD O95822 1/20 0.38

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
SCHEMBL30741023 0.89 KDM4E (0.45) MAPTKDM4EMAOBALDH1A1TP53
SCHEMBL30741035 0.89 GCGR (0.49) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL30741092 0.88 JAK2 (0.48) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL30741107 0.87 JAK2 (0.48) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL30741004 0.86 KDM4E (0.41) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL30741037 0.86 KDM4E (0.43) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL30741066 0.84 KDM4E (0.41) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL30741020 0.84 AR (0.51) MAPTKDM4EL3MBTL1ALDH1A1RAB9A
SCHEMBL30740997 0.83 KDM4E (0.48) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL30741086 0.83 KDM4E (0.43) MAPTKDM4EMEN1KMT2AHSP90AA1

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-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed