SCHEMBL29126017

SCHEMBL29126017

CCc1ccc(OC(CC)SCc2n[nH]c(=O)o2)cc1CC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 3/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ NOTUM Q6P988 5/20 0.36
▸ SORT1 Q99523 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL29125852 0.88 ALDH1A1 (0.42) MTNR1BMEN1KMT2A
SCHEMBL29125920 0.83 ALDH1A1 (0.40) MTNR1BMTNR1ANOTUMSORT1
SCHEMBL29125876 0.82 NOTUM (0.36) MTNR1BMTNR1ANOTUMSORT1
SCHEMBL29126050 0.82 NOTUM (0.43) MTNR1BMTNR1ANOTUMSORT1
SCHEMBL29125770 0.80 RRM1 (0.35) MTNR1BMTNR1ANOTUMSORT1
SCHEMBL29125960 0.79 GLA (0.37) KMT2A
SCHEMBL29125930 0.76 SORT1 (0.35) MTNR1BMTNR1ANOTUMSORT1MEN1
SCHEMBL29125787 0.76 SORT1 (0.35) MTNR1BMTNR1ANOTUMSORT1MEN1
SCHEMBL29125778 0.76 NPC1 (0.30) —
SCHEMBL30788482 0.75 ALDH1A1 (0.42) MTNR1BMTNR1ANOTUMSORT1MEN1

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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