SCHEMBL29128444

SCHEMBL29128444

CCc1ccc(OCSCc2c[nH]c(=O)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.42
▸ DAO P14920 3/20 0.37
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CISD1 Q9NZ45 1/20 0.34
▸ PPARG P37231 1/20 0.33

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
SCHEMBL30800004 0.84 LMNA (0.34) SOD1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL29128325 0.84 LMNA (0.34) SOD1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL29128350 0.84 SOD1 (0.36) SOD1DAOMAPTLMNAALDH1A1
SCHEMBL29128357 0.82 SOD1 (0.36) SOD1DAOMAPTLMNATP53
SCHEMBL30799833 0.77 RAB9A (0.35) DAOMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL29128408 0.77 L3MBTL1 (0.40) MAPTSMN1; SMN2HPGDPOLBKDM4E
SCHEMBL29128456 0.77 RAB9A (0.35) DAOMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL29128168 0.74 POLB (0.32) LMNAPOLB
SCHEMBL29128277 0.74 LMNA (0.38) MAPTLMNAALDH1A1TP53POLB
SCHEMBL30800008 0.74 LMNA (0.38) MAPTLMNAALDH1A1TP53POLB

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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