SCHEMBL29125926

SCHEMBL29125926

CCc1cc(CC)c(OCSCc2n[nH]c(=O)o2)c(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.38
▸ SORT1 Q99523 1/20 0.35
▸ MTNR1B P49286 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL29125843 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10
SCHEMBL29125944 0.84 NOTUM (0.41) NOTUMSORT1MTNR1BMTNR1AALDH1A1
SCHEMBL29125977 0.78 MAPT (0.38) NOTUMSORT1MTNR1BMTNR1AALDH1A1
SCHEMBL29125884 0.72 ALDH1A1 (0.53) NOTUMALDH1A1KDM4E
SCHEMBL29125851 0.71 ALDH1A1 (0.47) MTNR1BALDH1A1KDM4EHSD17B10
SCHEMBL24417342 0.71 SORT1 (0.49) NOTUMSORT1MTNR1BMTNR1A
SCHEMBL30788519 0.70 NOTUM (0.44) NOTUMSORT1MTNR1BMTNR1AALDH1A1
SCHEMBL29125878 0.70 NOTUM (0.44) NOTUMSORT1MTNR1BMTNR1AALDH1A1
SCHEMBL29125724 0.70 ALDH1A1 (0.38) NOTUMSORT1ALDH1A1KDM4EGLA
SCHEMBL29125967 0.69 NOTUM (0.37) NOTUMSORT1MTNR1BMTNR1AALDH1A1

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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