SCHEMBL29125767

SCHEMBL29125767

CC(C)(C)c1ccccc1OCc1n[nH]c(=S)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.62
▸ POLB P06746 1/20 0.56
▸ HPGD P15428 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ HSD17B10 Q99714 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TP53 P04637 2/20 0.50
▸ NISCH Q9Y2I1 1/20 0.47
▸ PPARG P37231 2/20 0.45
▸ NCOA2 Q15596 2/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ NAMPT P43490 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL29125697 0.84 NISCH (0.47) ALDH1A1POLBGAAHSD17B10ALOX15
SCHEMBL29125891 0.82 ALDH1A1 (0.80) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL29125766 0.75 ALDH1A1 (0.72) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL29125671 0.75 ALDH1A1 (0.72) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL29125873 0.74 ALDH1A1 (0.64) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL29125827 0.74 ALDH1A1 (0.64) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL29125712 0.72 ALDH1A1 (0.58) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL29125919 0.71 ALDH1A1 (0.64) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL29125888 0.70 ALDH1A1 (0.78) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL29125762 0.69 ALDH1A1 (0.69) ALDH1A1POLBHPGDSMN1; SMN2MEN1

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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