SCHEMBL30800030

SCHEMBL30800030

O=c1[nH]cc(COc2cccc3c2C3)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRB P28702 9/20 0.37
▸ RXRA P19793 9/20 0.37
▸ RXRG P48443 6/20 0.37
▸ MRGPRX4 Q96LA9 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ DPYD Q12882 1/20 0.32
▸ SRC P12931 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
SCHEMBL29128407 0.75 MEN1 (0.49) TDP1L3MBTL1MAPTHTTALDH1A1
SCHEMBL29128346 0.75 DAO (0.43) MRGPRX4USP2PABPC1TDP1L3MBTL1
SCHEMBL29128459 0.75 NPC1 (0.44) RXRBRXRARXRGKDM4EALDH1A1
SCHEMBL29128610 0.75 HTR1A (0.42) USP2PABPC1TDP1L3MBTL1MAPT
SCHEMBL29128393 0.70 DAO (0.50) USP2PABPC1TDP1L3MBTL1ALDH1A1
SCHEMBL29128299 0.67 DPYD (0.36) DPYD
SCHEMBL30800076 0.67 KDM4C (0.47) RXRBRXRARXRGMAPTHTT
SCHEMBL29128524 0.67 GLRA1 (0.35) USP2PABPC1TDP1L3MBTL1DPYD
SCHEMBL29128242 0.67 KDM4C (0.47) RXRBRXRARXRGMAPTHTT
SCHEMBL20573420 0.66 L3MBTL1 (0.49) RXRBRXRARXRGMRGPRX4TDP1

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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