SCHEMBL29128355

SCHEMBL29128355

CCc1ccc(OCCCSCc2c[nH]c(=O)[nH]2)c(CC)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 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
SCHEMBL29128535 0.88 L3MBTL1 (0.31) DAO
SCHEMBL29125803 0.80 KMT2A (0.43) LMNAUSP2ALDH1A1POLBMAPT
SCHEMBL29128511 0.79 MAPK1 (0.32) LMNAALDH1A1
SCHEMBL29128517 0.77 HTR1B (0.35) LMNARAB9AALDH1A1MAPT
SCHEMBL29125874 0.76 KMT2A (0.34) LMNAUSP2ALDH1A1POLBMAPT
SCHEMBL30799962 0.76 LMNA (0.50) LMNAALDH1A1
SCHEMBL29128495 0.76 LMNA (0.50) LMNAALDH1A1
SCHEMBL29128360 0.76 LMNA (0.32) LMNADAO
SCHEMBL29128250 0.75 CTSS (0.33) LMNAUSP2ALDH1A1POLBMAPT
SCHEMBL29128580 0.74 ALDH1A1 (0.46) LMNARAB9AALDH1A1POLBMAPT

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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