SCHEMBL29125686

SCHEMBL29125686

CCC(Oc1ccc(Sc2ccccc2)cc1)SCc1n[nH]c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DAO P14920 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MMP12 P39900 2/20 0.31
▸ ADAM17 P78536 2/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP7 P09237 1/20 0.31
▸ TACR1 P25103 2/20 0.31
▸ TP53 P04637 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL29125951 0.91 TSHR (0.42) TSHRALDH1A1MMP13HPGDKMT2A
SCHEMBL29125997 0.89 GAA (0.30) —
SCHEMBL29125960 0.79 GLA (0.37) TSHRALDH1A1MMP13HPGDKMT2A
SCHEMBL29125786 0.78 KDM4E (0.35) ALDH1A1HPGDLMNA
SCHEMBL29125723 0.78 LMNA (0.40) TSHRALDH1A1MMP13KMT2AGLA
SCHEMBL29126038 0.77 KMT2A (0.38) TSHRALDH1A1MMP13HPGDKMT2A
SCHEMBL29125816 0.77 TSHR (0.39) TSHRALDH1A1HPGDKMT2ADAO
SCHEMBL29126008 0.76 TSHR (0.43) TSHRALDH1A1MMP13HPGDKMT2A
SCHEMBL29125777 0.75 TSHR (0.44) TSHRALDH1A1MMP13HPGDKMT2A
SCHEMBL29125682 0.72 KMT2A (0.45) TSHRALDH1A1MMP13HPGDKMT2A

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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