SCHEMBL29128524

SCHEMBL29128524

CC(C)c1cccc(C(C)C)c1OCc1c[nH]c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GLRA1 P23415 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ DAO P14920 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ DPYD Q12882 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL29128528 0.82 SLC22A4 (0.37) GLRA1ALOX15TSHRTAAR1L3MBTL1
SCHEMBL29128526 0.75 RXRA (0.44) DAOL3MBTL1KMT2A
SCHEMBL29128393 0.71 DAO (0.50) ALOX15DAODPYDUSP2PABPC1
SCHEMBL29128407 0.71 MEN1 (0.49) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL29128459 0.70 NPC1 (0.44) TSHR
SCHEMBL29128346 0.68 DAO (0.43) TSHRDAODPYDUSP2PABPC1
SCHEMBL30800076 0.68 KDM4C (0.47) DAODPYD
SCHEMBL29128242 0.68 KDM4C (0.47) DAODPYD
SCHEMBL13408054 0.67 TSHR (0.47) ALOX15TSHRELANE
SCHEMBL11112611 0.67 TSHR (0.47) GLRA1ALOX15TSHRTAAR1L3MBTL1

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-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
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