SCHEMBL29125960

SCHEMBL29125960

CCc1ccc(OC(CC)SCc2n[nH]c(=O)[nH]2)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MMP13 P45452 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ MMP12 P39900 2/20 0.32
▸ ADAM17 P78536 2/20 0.32
▸ HPGD P15428 1/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP7 P09237 1/20 0.30
▸ CA5A P35218 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
SCHEMBL29125778 0.89 NPC1 (0.30) NPC1RAB9A
SCHEMBL29125723 0.85 LMNA (0.40) GLATSHRLMNAALDH1A1KMT2A
SCHEMBL29125951 0.83 TSHR (0.42) GLATSHRLMNAALDH1A1KMT2A
SCHEMBL29126038 0.81 KMT2A (0.38) GLATSHRLMNAALDH1A1KMT2A
SCHEMBL29126008 0.81 TSHR (0.43) GLATSHRLMNAALDH1A1KMT2A
SCHEMBL29125810 0.80 KMT2A (0.39) GLATSHRLMNAALDH1A1KMT2A
SCHEMBL29126017 0.79 MTNR1B (0.39) KMT2A
SCHEMBL29125686 0.79 TSHR (0.38) GLATSHRLMNAALDH1A1KMT2A
SCHEMBL29125852 0.76 ALDH1A1 (0.42) TSHRLMNAALDH1A1KMT2AHSD17B10
SCHEMBL29125816 0.74 TSHR (0.39) GLATSHRLMNAALDH1A1KMT2A

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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