SCHEMBL31411892

SCHEMBL31411892

CC(C)(C)OC(=O)N1C(=O)C(C)(C)c2sccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
BUB1 O43683 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NR1H2 P55055 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RORC P51449 7/20 0.33
DTYMK P23919 1/20 0.32
ABCB1 P08183 1/20 0.32
USP30 Q70CQ3 1/20 0.31
KDM1A O60341 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL31411821 0.76 BCHE (0.39) BCHEBUB1NR1H2RORCUSP30
SCHEMBL21912571 0.74 BCHE (0.52) BCHEALDH1A1RORCABCB1KDM1A
SCHEMBL31411705 0.74 BCHE (0.37) BCHEL3MBTL1BUB1ALDH1A1NR1H2
SCHEMBL31411714 0.72 BCHE (0.47) BCHEL3MBTL1BUB1ALDH1A1CYP1A2
SCHEMBL2143937 0.70 NR1H2 (0.44) BCHEBUB1NR1H2RORCUSP30
SCHEMBL16858541 0.70 HTR4 (0.41) BCHEBUB1RORCDDB1CRBN
SCHEMBL31526042 0.70 CASP1 (0.40) BCHEBUB1RORC
SCHEMBL31559322 0.70 ALDH1A1 (0.41) BCHEBUB1ALDH1A1RORCUSP30
SCHEMBL29622616 0.70 HTR4 (0.41) BCHEBUB1RORCDDB1CRBN
SCHEMBL2145039 0.68 MAPT (0.44) BCHEALDH1A1LMNAMAPT

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-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed