SCHEMBL28617150

SCHEMBL28617150

CC(C)(C)C(Cc1ccc2[nH]c(=O)[nH]c2c1)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 10/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 3/20 0.40
G6PD P11413 1/20 0.40
BLM P54132 1/20 0.40
GRIA1 P42261 2/20 0.38
GRIK1 P39086 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRIK3 Q13003 1/20 0.38
POLB P06746 4/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL1936444 0.75 PPARG (0.41)
SCHEMBL1937035 0.75 EPHX2 (0.37)
SCHEMBL4072985 0.74 MME (0.43) KMT2AMEN1
SCHEMBL28652308 0.73 SRR (0.45) PKMPOLB
SCHEMBL3594215 0.72 ALDH1A1 (0.49) GAAPKMMAPTALDH1A1KMT2A
SCHEMBL1935049 0.71 EPHX2 (0.39) MAPTALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL15457689 0.71 MAPT (0.59) GAAPKMMAPTALDH1A1KMT2A
SCHEMBL28474974 0.70 CA2 (0.47) KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL11602903 0.70 GRIA2 (0.59) GAAPKMKDM4EGRIA1GRIK1
SCHEMBL28619121 0.70 GAA (0.53) GAAPKMMAPTALDH1A1KMT2A

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-109311865-B Pyrazole-oxazolidinone compound for resisting hepatitis B virus 上海挚盟医药科技有限公司 2021-08-31 CN disclosed