SCHEMBL29125712

SCHEMBL29125712

CC(C)(C)c1cccc(OCCSCc2n[nH]c(=S)o2)c1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.58
▸ KDM4E B2RXH2 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ POLB P06746 2/20 0.40
▸ HSD17B10 Q99714 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PPARG P37231 2/20 0.35
▸ NCOA2 Q15596 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 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
SCHEMBL29125934 0.87 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAALOX15GAA
SCHEMBL29125721 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125939 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125899 0.75 HTT (0.34) ALDH1A1KDM4ELMNAHSD17B10GAA
SCHEMBL29125788 0.74 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL30788478 0.73 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL30788525 0.73 ALDH1A1 (0.66) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125668 0.72 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125905 0.72 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL29125767 0.72 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBHSD17B10MAPK1

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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