SCHEMBL29128237

SCHEMBL29128237

CCc1cccc(OCCCSCc2c[nH]c(=O)o2)c1CC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2A6 P11509 1/20 0.30

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
SCHEMBL29128328 0.89 MAPT (0.32) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL29125765 0.81 ALDH1A1 (0.38) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL29128420 0.79 MEN1 (0.40) L3MBTL1MAPTALDH1A1
SCHEMBL29128226 0.76 L3MBTL1 (0.39) L3MBTL1MAPTNPSR1HPGDATM
SCHEMBL29128179 0.76 ALDH1A1 (0.42) L3MBTL1MAPTHPGDALDH1A1TSHR
SCHEMBL29128243 0.76 — —
SCHEMBL29128388 0.75 NR3C2 (0.34) L3MBTL1HPGDALDH1A1TSHR
SCHEMBL29128412 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29128376 0.74 KMT2A (0.31) ALDH1A1
SCHEMBL29128446 0.74 SMN1; SMN2 (0.39) L3MBTL1NPSR1HPGDALDH1A1

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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