SCHEMBL22720220

SCHEMBL22720220

C=C1CCC2CN(C(=O)OC(C)(C)C)CCN2C1=C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FPR2 P25090 2/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL22720281 0.86 FPR2 (0.39) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL31027198 0.78 USP30 (0.47) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL14815454 0.78 USP30 (0.47) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL23422324 0.78 USP30 (0.47) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL22720335 0.78 MAPT (0.42) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL17188206 0.74 USP30 (0.46) USP30MAPTFPR2KDM4ETHRB
SCHEMBL31257362 0.74 USP30 (0.46) USP30MAPTFPR2KDM4ETHRB
SCHEMBL22720343 0.74 USP30 (0.41) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL22720334 0.74 FPR2 (0.46) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL29586410 0.72 MAPT (0.46) USP30MAPTALDH1A1MEN1KMT2A

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
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed