SCHEMBL29125699

SCHEMBL29125699

CC(Oc1ccccc1C(C)(C)C)SCc1n[nH]c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.36
▸ BRS3 P32247 1/20 0.35
▸ TACR1 P25103 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL29125986 0.88 ALOX15 (0.34) ALOX15MAPTNISCHKMT2AHSD17B10
SCHEMBL29125777 0.80 TSHR (0.44) TSHRTACR1KMT2AALDH1A1LMNA
SCHEMBL29125698 0.78 DAO (0.39) TSHRTACR1ALDH1A1GLAKDM4E
SCHEMBL29126060 0.77 BRS3 (0.36) TSHRBRS3KMT2AHSD17B10GLA
SCHEMBL29125740 0.76 KMT2A (0.36) TSHRTACR1MAPTKMT2AHSD17B10
SCHEMBL29125836 0.76 TSHR (0.36) TSHRTACR1KMT2AHSD17B10ALDH1A1
SCHEMBL29125687 0.76 TSHR (0.44) TSHRALOX15NISCHKMT2AHSD17B10
SCHEMBL29125763 0.74 TSHR (0.39) TSHRKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL29125936 0.74 LMNA (0.40) TSHRKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL29125839 0.74 KMT2A (0.40) TSHRBRS3TACR1KMT2AHSD17B10

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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