SCHEMBL30800004

SCHEMBL30800004

CCc1ccc(OCSCc2c[nH]c(=O)[nH]2)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DPYD Q12882 1/20 0.32
▸ SOD1 P00441 2/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL29128325 1.00 LMNA (0.34) LMNAMAPTPOLBALDH1A1HTT
SCHEMBL30799842 0.86 ALDH1A1 (0.37) LMNAMAPTPOLBALDH1A1HTT
SCHEMBL29128312 0.86 ALDH1A1 (0.37) LMNAMAPTPOLBALDH1A1HTT
SCHEMBL29128444 0.84 SOD1 (0.42) LMNAMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL30799833 0.81 RAB9A (0.35) LMNAMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL29128456 0.81 RAB9A (0.35) LMNAMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL29128408 0.78 L3MBTL1 (0.40) MAPTPOLBSMN1; SMN2HSD17B10KDM4E
SCHEMBL29128277 0.77 LMNA (0.38) LMNAMAPTPOLBALDH1A1HTT
SCHEMBL30800008 0.77 LMNA (0.38) LMNAMAPTPOLBALDH1A1HTT
SCHEMBL29128168 0.75 POLB (0.32) LMNAPOLBDPYD

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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