SCHEMBL30221986

SCHEMBL30221986

CC(C)(C)OC(=O)N1CCN(c2ccc(O)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 5/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR119 Q8TDV5 4/20 0.48
SMARCA2 P51531 1/20 0.48
SMARCA4 P51532 1/20 0.48
PBRM1 Q86U86 1/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDK2 Q15119 2/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL4951947 1.00 ESR2 (0.52) ESR2L3MBTL1MAPTMEN1KMT2A
SCHEMBL8259574 0.89 ESR2 (0.52) ESR2L3MBTL1MAPTMEN1KMT2A
SCHEMBL22532774 0.88 SMN1; SMN2 (0.56) L3MBTL1MAPTMEN1KMT2AGPR119
SCHEMBL3929365 0.86 L3MBTL1 (0.55) L3MBTL1MAPTMEN1KMT2AGPR119
SCHEMBL1907784 0.85 CYP3A4 (0.56) L3MBTL1MAPTMEN1KMT2AGPR119
SCHEMBL29508938 0.85 NR1H2 (0.53) L3MBTL1MAPTMEN1KMT2AGPR119
SCHEMBL660403 0.85 NR1H2 (0.53) L3MBTL1MAPTMEN1KMT2AGPR119
SCHEMBL29197465 0.85 L3MBTL1 (0.51) L3MBTL1MAPTMEN1KMT2AGPR119
SCHEMBL7123953 0.85 BACE1 (0.54) L3MBTL1MAPTMEN1KMT2AGPR119
SCHEMBL30591201 0.85 CYP3A4 (0.56) L3MBTL1MAPTMEN1KMT2AGPR119

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