SCHEMBL29125839

SCHEMBL29125839

CCc1ccc(CC)c(OC(C)SCc2n[nH]c(=O)[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 2/20 0.36
▸ GLA P06280 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TACR1 P25103 3/20 0.32
▸ BRS3 P32247 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DAO P14920 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL29125850 0.91 KMT2A (0.33) KMT2AHSD17B10NPC1
SCHEMBL29125810 0.80 KMT2A (0.39) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125829 0.78 KMT2A (0.44) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125836 0.76 TSHR (0.36) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125740 0.76 KMT2A (0.36) KMT2AHSD17B10TSHRTACR1L3MBTL1
SCHEMBL29125777 0.75 TSHR (0.44) KMT2ATSHRGLAALDH1A1LMNA
SCHEMBL29125863 0.74 KMT2A (0.49) KMT2AHSD17B10TSHRALDH1A1LMNA
SCHEMBL29125699 0.74 TSHR (0.39) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125763 0.72 TSHR (0.39) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125936 0.72 LMNA (0.40) KMT2AHSD17B10TSHRGLAALDH1A1

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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