SCHEMBL22720335

SCHEMBL22720335

CC(C)(C)OC(=O)N1CCN2C(=C=O)CCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
FPR2 P25090 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP30 Q70CQ3 2/20 0.41
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PREP P48147 1/20 0.36
TP53 P04637 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL22720302 0.86 FPR2 (0.40) MAPTALDH1A1FPR2MEN1KMT2A
SCHEMBL22720334 0.83 FPR2 (0.46) MAPTALDH1A1FPR2MEN1KMT2A
SCHEMBL22720220 0.78 USP30 (0.40) MAPTALDH1A1FPR2MEN1KMT2A
SCHEMBL23422324 0.78 USP30 (0.47) MAPTALDH1A1FPR2MEN1KMT2A
SCHEMBL14815454 0.78 USP30 (0.47) MAPTALDH1A1FPR2MEN1KMT2A
SCHEMBL31027198 0.78 USP30 (0.47) MAPTALDH1A1FPR2MEN1KMT2A
SCHEMBL16763628 0.76 FPR2 (0.52) MAPTALDH1A1FPR2MEN1KMT2A
SCHEMBL27175858 0.76 FPR2 (0.52) MAPTALDH1A1FPR2MEN1KMT2A
SCHEMBL16763626 0.76 FPR2 (0.52) MAPTALDH1A1FPR2MEN1KMT2A
SCHEMBL22720343 0.76 USP30 (0.41) MAPTALDH1A1FPR2MEN1KMT2A

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