SCHEMBL28601189

SCHEMBL28601189

COC(=O)c1cc(C[C@@H]2CCCN2C(=O)OC(C)(C)C)no1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.42
UCHL1 P09936 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRD1 P41143 1/20 0.39
ATM Q13315 2/20 0.39
NPC1 O15118 1/20 0.39
SCD5 Q86SK9 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28601191 1.00 USP30 (0.42) USP30UCHL1MEN1KMT2AALDH1A1
SCHEMBL28194697 0.89 ALDH1A1 (0.41) USP30MEN1KMT2AALDH1A1NPSR1
SCHEMBL28596876 0.89 ALDH1A1 (0.41) USP30MEN1KMT2AALDH1A1NPSR1
SCHEMBL28600591 0.85 F2RL3 (0.42) USP30UCHL1ALDH1A1
SCHEMBL28917974 0.85 F2RL3 (0.42) USP30UCHL1ALDH1A1
SCHEMBL28600592 0.85 F2RL3 (0.42) USP30UCHL1ALDH1A1
SCHEMBL24208480 0.81 PKM (0.46) USP30ALDH1A1MAPT
SCHEMBL30740791 0.77 RAB9A (0.48) ALDH1A1NPSR1LMNAOPRD1ATM
SCHEMBL17002525 0.75 HCRTR1 (0.50) USP30UCHL1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL30392166 0.75 KDM4E (0.41) USP30ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107459510-B Isoxazole compound and application thereof 华东师范大学 2021-06-25 CN disclosed
CN-107459510-A Isoxazole class compound and its application 华东师范大学 2017-12-12 CN disclosed