SCHEMBL29125939

SCHEMBL29125939

CC(C)(C)c1ccc(C(C)(C)C)c(OCCCSCc2n[nH]c(=S)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ BACE1 P56817 1/20 0.32

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
SCHEMBL29125791 0.88 KDM4E (0.38) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL29125751 0.80 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125946 0.76 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125712 0.76 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29128273 0.75 ALDH1A1 (0.35) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL29125728 0.74 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125668 0.73 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125905 0.73 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL30788489 0.73 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL29125903 0.73 ALDH1A1 (0.88) 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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