SCHEMBL29126008

SCHEMBL29126008

CCc1cccc(CC)c1OC(CC)SCc1n[nH]c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.32
▸ BTK Q06187 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ DAO P14920 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
SCHEMBL29125715 0.89 ADRA2A (0.36) TSHRADRA2AADRA2BADRA2C
SCHEMBL29125951 0.82 TSHR (0.42) TSHRGLAALDH1A1BTKKMT2A
SCHEMBL29125960 0.81 GLA (0.37) TSHRGLAALDH1A1KMT2AMMP13
SCHEMBL29125810 0.80 KMT2A (0.39) TSHRGLAALDH1A1KMT2AHPGD
SCHEMBL29125723 0.80 LMNA (0.40) TSHRGLAALDH1A1KMT2AMMP13
SCHEMBL29126038 0.79 KMT2A (0.38) TSHRGLAALDH1A1KMT2AMMP13
SCHEMBL29125816 0.78 TSHR (0.39) TSHRGLAALDH1A1KMT2AHPGD
SCHEMBL29128519 0.78 ADRA2A (0.34) ADRA2AADRA2BADRA2CDAO
SCHEMBL29125686 0.76 TSHR (0.38) TSHRGLAALDH1A1KMT2AMMP13
SCHEMBL29126060 0.76 BRS3 (0.36) TSHRGLAKMT2AHSD17B10DAO

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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