SCHEMBL29125834

SCHEMBL29125834

CCc1cccc(OC(CC)CSCc2n[nH]c(=O)[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SOD1 P00441 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ DAO P14920 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL29125845 0.89 MAPK1 (0.33) KMT2AMMP13TSHRLMNASOD1
SCHEMBL29125958 0.76 ALDH1A1 (0.38) KMT2AMMP13TSHRHSD17B10ALDH1A1
SCHEMBL30788473 0.74 SOD1 (0.56) TSHRALDH1A1LMNASOD1MAPK1
SCHEMBL29125895 0.74 SOD1 (0.56) TSHRALDH1A1LMNASOD1MAPK1
SCHEMBL29125832 0.72 KMT2A (0.45) KMT2AMMP13TSHRHSD17B10ALDH1A1
SCHEMBL29126066 0.71 KMT2A (0.58) KMT2AMMP13TSHRHSD17B10ALDH1A1
SCHEMBL29125806 0.71 NPC1 (0.42) KMT2AMMP13TSHRHSD17B10ALDH1A1
SCHEMBL29125693 0.70 TSHR (0.46) KMT2AMMP13TSHRHSD17B10ALDH1A1
SCHEMBL29125723 0.70 LMNA (0.40) KMT2AMMP13TSHRHSD17B10ALDH1A1
SCHEMBL29125951 0.67 TSHR (0.42) KMT2AMMP13TSHRHSD17B10ALDH1A1

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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