SCHEMBL29125899

SCHEMBL29125899

CC(C)(C)c1cccc(OCCCSCc2n[nH]c(=S)[nH]2)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29126054 0.89 TSHR (0.39) HTTLMNANPSR1TDP1ALDH1A1
SCHEMBL29125980 0.84 HTT (0.44) HTTLMNANPSR1TDP1ALDH1A1
SCHEMBL29125731 0.77 TTR (0.44) HTTLMNATDP1ALDH1A1KDM4E
SCHEMBL29125918 0.77 LMNA (0.35) HTTLMNAALDH1A1KDM4E
SCHEMBL29125712 0.75 ALDH1A1 (0.58) HTTLMNANPSR1TDP1ALDH1A1
SCHEMBL29125908 0.75 — —
SCHEMBL29125781 0.74 ALDH1A1 (0.52) HTTLMNAALDH1A1KDM4EMEN1
SCHEMBL29125703 0.74 TSHR (0.37) HTTLMNAALDH1A1KDM4EKMT2A
SCHEMBL29125687 0.73 TSHR (0.44) HTTLMNANPSR1TDP1ALDH1A1
SCHEMBL30788488 0.73 CYP1A2 (0.55) HTTLMNANPSR1TDP1ALDH1A1

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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