SCHEMBL29128415

SCHEMBL29128415

CC(C)(C)c1ccccc1OCC(CSCc1c[nH]c(=O)o1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL29128473 0.88 MAPT (0.37) MAPTALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL29128173 0.82 HTT (0.40) MAPTALDH1A1KDM4EGAARXRA
SCHEMBL29128177 0.76 ALDH1A1 (0.30) MAPTALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL29128211 0.75 — —
SCHEMBL29128412 0.71 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL29128175 0.71 METAP2 (0.30) —
SCHEMBL29128413 0.70 HTT (0.41) MAPTALDH1A1KDM4EGAARXRA
SCHEMBL29128422 0.68 ALDH1A1 (0.32) MAPTALDH1A1L3MBTL1HSD17B10LMNA
SCHEMBL29128202 0.67 — —
SCHEMBL29128487 0.67 — —

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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