SCHEMBL29125751

SCHEMBL29125751

CC(C)(C)c1ccc(OCSCc2n[nH]c(=S)o2)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ BACE1 P56817 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL29125689 0.87 NOTUM (0.40) ALDH1A1LMNAKDM4EALOX15TRPV1
SCHEMBL29125939 0.80 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL30788489 0.80 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125704 0.80 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125851 0.74 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125946 0.72 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125817 0.72 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125719 0.72 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125941 0.72 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125896 0.72 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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