SCHEMBL29125770

SCHEMBL29125770

CCc1cccc(OC(CC)SCc2n[nH]c(=O)o2)c1CC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RRM1 P23921 2/20 0.35
▸ RRM2B Q7LG56 2/20 0.35
▸ NOTUM Q6P988 4/20 0.34
▸ SORT1 Q99523 1/20 0.33
▸ MTNR1B P49286 2/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30

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
SCHEMBL29125711 0.88 ALDH1A1 (0.41) —
SCHEMBL29125930 0.83 SORT1 (0.35) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29125754 0.82 SORT1 (0.35) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29128243 0.81 — —
SCHEMBL29126017 0.80 MTNR1B (0.39) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29125920 0.79 ALDH1A1 (0.40) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29125800 0.78 P2RX3 (0.39) NOTUMSORT1MTNR1B
SCHEMBL29128335 0.77 — —
SCHEMBL29125876 0.76 NOTUM (0.36) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL29125765 0.76 ALDH1A1 (0.38) RRM1RRM2BNOTUMSORT1MTNR1B

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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