SCHEMBL22720343

SCHEMBL22720343

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
FPR2 P25090 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HPGD P15428 1/20 0.35
PREP P48147 1/20 0.35
TP53 P04637 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL22720311 0.88 FPR2 (0.42) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL28704461 0.85 ALDH1A1 (0.37) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL22720341 0.84 USP30 (0.45) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL22720335 0.76 MAPT (0.42) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL31257370 0.74 USP30 (0.47) USP30MAPTGPR119FPR2KDM4E
SCHEMBL22720220 0.74 USP30 (0.40) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL22720287 0.74 FPR2 (0.39) MAPTALDH1A1MEN1KMT2AGPR119
SCHEMBL23422324 0.73 USP30 (0.47) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL31027198 0.73 USP30 (0.47) USP30MAPTALDH1A1MEN1KMT2A
SCHEMBL14815454 0.73 USP30 (0.47) 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 3 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