SCHEMBL30788484

SCHEMBL30788484

CC(C)(C)c1cccc(OCc2n[nH]c(=O)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.56
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
TACR1 P25103 1/20 0.39
GRM2 Q14416 1/20 0.39
MAPK1 P28482 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL29126002 1.00 SOD1 (0.56) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL30788486 0.86 SOD1 (0.50) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL29125669 0.86 SOD1 (0.50) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL29125895 0.80 SOD1 (0.56) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL30788473 0.80 SOD1 (0.56) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL29125761 0.78 APP (0.50) HTTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL30788529 0.78 APP (0.50) HTTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL29125822 0.78 RAB9A (0.54) L3MBTL1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL29125820 0.77 BRS3 (0.39) HTTL3MBTL1CYP2C19TACR1MAPK1
SCHEMBL13761596 0.73 SOD1 (0.56) SOD1HTTLMNAPOLBL3MBTL1

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