SCHEMBL31375588

SCHEMBL31375588

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C(=O)NNC(=O)C3(F)CCCN(C(=O)OCc4ccccc4)C3)cc2NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ ENPP2 Q13822 2/20 0.35
▸ ATXN2 Q99700 2/20 0.35
▸ CTSD P07339 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL31628135 1.00 USP30 (0.35) USP30PDE4BENPP2ATXN2CTSD
SCHEMBL31375494 0.85 MEN1 (0.35) USP30PDE4BENPP2ATXN2PARP1
SCHEMBL31628311 0.85 MEN1 (0.35) USP30PDE4BENPP2ATXN2PARP1
SCHEMBL31375547 0.80 GPR119 (0.35) USP30PDE4BENPP2ATXN2CTSD
SCHEMBL31628207 0.80 GPR119 (0.35) USP30PDE4BENPP2ATXN2CTSD
SCHEMBL31628244 0.77 NAAA (0.40) HPGDSMN1; SMN2HDAC1HDAC6HDAC8
SCHEMBL31375556 0.77 NAAA (0.40) HPGDSMN1; SMN2HDAC1HDAC6HDAC8
SCHEMBL31375523 0.76 KMT2A (0.36) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL31375598 0.75 KMT2A (0.37) CTSLALDH1A1MAPTHPGDHTT
SCHEMBL31628071 0.75 KMT2A (0.37) CTSLALDH1A1MAPTHPGDHTT

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
CN-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 — — CN disclosed
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