SCHEMBL29125902

SCHEMBL29125902

CC(C)(C)C(CSCc1n[nH]c(=S)[nH]1)C(Oc1ccccc1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL29126056 0.88 TSHR (0.43) ALDH1A1TSHRMMP13KMT2A
SCHEMBL29125983 0.84 KDM4E (0.34) KDM4EALDH1A1TSHRMMP13KMT2A
SCHEMBL29125849 0.75 KDM4E (0.39) KDM4EALDH1A1TSHRMMP13KMT2A
SCHEMBL29125804 0.74 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL29125921 0.74 KMT2A (0.46) KDM4EALDH1A1MMP13KMT2A
SCHEMBL29125736 0.72 ALDH1A1 (0.38) KDM4EALDH1A1TSHRMMP13KMT2A
SCHEMBL29125693 0.72 TSHR (0.46) ALDH1A1TSHRMMP13KMT2A
SCHEMBL29125808 0.72 ALDH1A1 (0.38) KDM4EALDH1A1TSHRMMP13KMT2A
SCHEMBL29125786 0.72 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL29125694 0.68 RAB9A (0.51) ALDH1A1TSHRKMT2A

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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