SCHEMBL31411705

SCHEMBL31411705

COC(=O)c1cc2c(s1)C(C)(C)C(=O)N2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ACKR3 P25106 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.33
BUB1 O43683 1/20 0.33
PKM P14618 1/20 0.33
NR1H2 P55055 2/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
STING1 Q86WV6 1/20 0.32
MAPK1 P28482 3/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNN4 O15554 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32

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 0.82 BCHE (0.39) BCHEBUB1NR1H2
SCHEMBL31411892 0.74 BCHE (0.43) BCHEALDH1A1BUB1NR1H2CYP1A2
SCHEMBL31411576 0.73 HPGD (0.40) BCHEACKR3ALDH1A1HPGDNPC1
SCHEMBL21912571 0.68 BCHE (0.52) BCHEALDH1A1MEN1KMT2ANPSR1
SCHEMBL31411547 0.67 KCNN4 (0.35) ALDH1A1HPGDKMT2AMAPK1NPSR1
SCHEMBL2143937 0.67 NR1H2 (0.44) BCHEBUB1NR1H2HDAC1HSP90AA1
SCHEMBL31526042 0.67 CASP1 (0.40) BCHEBUB1SMN1; SMN2HDAC1
SCHEMBL31559322 0.67 ALDH1A1 (0.41) BCHEALDH1A1BUB1PKMKMT2A
SCHEMBL16858541 0.67 HTR4 (0.41) BCHEBUB1SMN1; SMN2HDAC1
SCHEMBL29622616 0.67 HTR4 (0.41) BCHEBUB1SMN1; SMN2HDAC1

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