SCHEMBL29126046

SCHEMBL29126046

CC(Oc1ccccc1)SCc1n[nH]c(=O)o1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 6/20 0.43
▸ SORT1 Q99523 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MTNR1B P49286 2/20 0.36
▸ MTNR1A P48039 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
SCHEMBL29125890 0.86 NOTUM (0.46) NOTUMSORT1KDM4EMTNR1BMTNR1A
SCHEMBL29125875 0.86 NOTUM (0.42) NOTUMSORT1KDM4EMTNR1BMTNR1A
SCHEMBL29125920 0.85 ALDH1A1 (0.40) NOTUMSORT1ALDH1A1KDM4EMTNR1B
SCHEMBL29125792 0.84 ALDH1A1 (0.56) ALDH1A1KDM4E
SCHEMBL29125835 0.84 NOTUM (0.36) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29125700 0.83 MTNR1B (0.40) NOTUMSORT1ALDH1A1KDM4EMTNR1B
SCHEMBL29125805 0.81 SORT1 (0.35) NOTUMSORT1ALDH1A1KDM4E
SCHEMBL29128375 0.77 MEN1 (0.34) NOTUMALDH1A1KDM4EMTNR1BMTNR1A
SCHEMBL29125872 0.76 ALDH1A1 (0.47) NOTUMSORT1ALDH1A1KDM4EMTNR1B
SCHEMBL29125777 0.76 TSHR (0.44) ALDH1A1KDM4E

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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