SCHEMBL29125881

SCHEMBL29125881

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TSHR P16473 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
SCHEMBL29125810 0.90 KMT2A (0.39) KMT2AHSD17B10HPGDL3MBTL1TSHR
SCHEMBL29125778 0.81 NPC1 (0.30) —
SCHEMBL29125715 0.80 ADRA2A (0.36) TSHR
SCHEMBL29125850 0.80 KMT2A (0.33) KMT2AHSD17B10
SCHEMBL29125900 0.80 LMNA (0.34) HPGDL3MBTL1TSHR
SCHEMBL29128543 0.80 SLC22A4 (0.30) —
SCHEMBL29125743 0.77 TTR (0.33) L3MBTL1
SCHEMBL29125874 0.76 KMT2A (0.34) KMT2AHSD17B10L3MBTL1TSHR
SCHEMBL29128360 0.76 LMNA (0.32) —
SCHEMBL29125786 0.76 KDM4E (0.35) HSD17B10HPGD

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
Send feedback