SCHEMBL29125810

SCHEMBL29125810

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 3/20 0.36
▸ GLA P06280 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ TACR1 P25103 3/20 0.31
▸ BRS3 P32247 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.30
▸ HTT P42858 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
SCHEMBL29125881 0.90 KMT2A (0.31) KMT2AHSD17B10TSHRHPGDL3MBTL1
SCHEMBL29125950 0.81 LMNA (0.37) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125960 0.80 GLA (0.37) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125839 0.80 KMT2A (0.40) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29126008 0.80 TSHR (0.43) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29128360 0.79 LMNA (0.32) LMNA
SCHEMBL29125816 0.78 TSHR (0.39) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125951 0.77 TSHR (0.42) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125803 0.76 KMT2A (0.43) KMT2AHSD17B10TSHRGLAALDH1A1
SCHEMBL29125723 0.74 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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