SCHEMBL30788486

SCHEMBL30788486

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.50
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
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 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
SCHEMBL29125669 1.00 SOD1 (0.50) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL29126002 0.86 SOD1 (0.56) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL30788484 0.86 SOD1 (0.56) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL30788509 0.80 SOD1 (0.49) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL29125879 0.80 SOD1 (0.49) SOD1HTTLMNAPOLBL3MBTL1
SCHEMBL30788485 0.78 APP (0.50) HTTLMNAALDH1A1ALOX15TSHR
SCHEMBL29125725 0.78 APP (0.50) HTTLMNAALDH1A1ALOX15TSHR
SCHEMBL29125912 0.78 RAB9A (0.53) LMNAALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL29125713 0.77 TRPV1 (0.36) HTTLMNAL3MBTL1CYP2C19ALDH1A1
SCHEMBL29125789 0.76 ALDH1A1 (0.41) HTTLMNAL3MBTL1CYP3A4ALDH1A1

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