SCHEMBL30221908

SCHEMBL30221908

CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)O)c(F)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
DPP4 P27487 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TTR P02766 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL20521398 1.00 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL710108 0.95 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL21937028 0.89 MAPT (0.51) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL20521289 0.87 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL8257373 0.84 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL31457120 0.84 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL30938985 0.84 MAPT (0.52) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL20231932 0.84 MAPT (0.52) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL20522058 0.84 SMARCA2 (0.49) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL20668600 0.84 MAPT (0.56) SMN1; SMN2ALDH1A1MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991679-A 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯比利时股份公司 2023-04-21 CN disclosed
CN-115873022-A 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯比利时股份公司 2023-03-31 CN disclosed
CN-110678472-B 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯比利时股份公司 2023-01-24 CN disclosed