SCHEMBL29993273

SCHEMBL29993273

CC(C)(C)OC(=O)N1CCCCC1=CN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ RECQL P46063 2/20 0.39
▸ HPGD P15428 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CTSK P43235 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL30002394 0.92 HPGD (0.37) SMN1; SMN2USP2HPGDGPR119MEN1
SCHEMBL28858721 0.76 GRM5 (0.34) SMN1; SMN2USP2HPGDGPR119MEN1
SCHEMBL31715308 0.75 USP2 (0.39) SMN1; SMN2USP2HPGDMEN1KMT2A
SCHEMBL31322461 0.75 CTSK (0.40) SMN1; SMN2USP2HPGDMEN1KMT2A
SCHEMBL28885252 0.74 USP2 (0.62) SMN1; SMN2USP2RECQLHPGDGPR119
SCHEMBL31357623 0.74 HDAC1 (0.36) SMN1; SMN2USP2HPGDGPR119MAPT
Formic Acid SCHEMBL29026228 0.73 HPGD (0.34) SMN1; SMN2USP2HPGDGPR119MAPT
SCHEMBL31357715 0.71 ADORA1 (0.36) SMN1; SMN2USP2RECQLHPGDGPR119
SCHEMBL12350366 0.71 CTSK (0.38) SMN1; SMN2USP2HPGDMEN1KMT2A
SCHEMBL42476 0.70 SMN1; SMN2 (0.48) SMN1; SMN2USP2RECQLHPGDMAPT

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-108440507-B Compound as apoptosis protein inhibitor and application thereof 南京圣和药物研发有限公司 2022-10-18 — — CN disclosed
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