SCHEMBL22720341

SCHEMBL22720341

CC(C)(C)OC(=O)N1CCN2C(=O)C(C(=O)O)CCC2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
FPR2 P25090 3/20 0.45
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
GPR119 Q8TDV5 2/20 0.39
TP53 P04637 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.37
PREP P48147 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37

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
SCHEMBL31257370 0.90 USP30 (0.47) USP30FPR2MAPTKDM4ETHRB
SCHEMBL22720310 0.87 FPR2 (0.52) USP30FPR2MAPTKDM4ETHRB
SCHEMBL22724577 0.84 FPR2 (0.41) USP30FPR2MAPTKDM4ETHRB
SCHEMBL22720343 0.84 USP30 (0.41) USP30FPR2MAPTKDM4ETHRB
SCHEMBL22720490 0.82 FPR2 (0.52) FPR2MAPTKDM4ETHRBGPR119
SCHEMBL23422324 0.79 USP30 (0.47) USP30FPR2MAPTKDM4ETHRB
SCHEMBL14815454 0.79 USP30 (0.47) USP30FPR2MAPTKDM4ETHRB
SCHEMBL31027198 0.79 USP30 (0.47) USP30FPR2MAPTKDM4ETHRB
SCHEMBL25045196 0.78 TP53 (0.42) USP30FPR2MAPTKDM4ETHRB
SCHEMBL16763628 0.77 FPR2 (0.52) USP30FPR2MAPTKDM4ETHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113396147-B Aromatic heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-18 CN disclosed
CN-113396147-A Aromatic heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-09-14 CN disclosed
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
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