SCHEMBL29128473

SCHEMBL29128473

CC(C)(C)c1ccccc1OCC(CSCc1c[nH]c(=S)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 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ TP53 P04637 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
SCHEMBL29128415 0.88 MAPT (0.37) MAPTALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL29128413 0.82 HTT (0.41) MAPTALDH1A1KDM4ENISCHCYP1A2
SCHEMBL29128421 0.75 ALDH1A1 (0.31) MAPTALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL29128474 0.74 — —
SCHEMBL29128468 0.70 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL29128416 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29128173 0.70 HTT (0.40) MAPTALDH1A1KDM4ENISCHCYP1A2
SCHEMBL29128247 0.69 ALDH1A1 (0.37) ALDH1A1KDM4ECYP2D6HSD17B10LMNA
SCHEMBL29128491 0.69 ALDH1A1 (0.37) ALDH1A1KDM4ECYP2D6HSD17B10LMNA
SCHEMBL29128427 0.68 KDM4E (0.32) ALDH1A1KDM4E

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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