SCHEMBL29172243

SCHEMBL29172243

COc1cc(C(O)C(C)=O)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.76
BLM P54132 2/20 0.76
NPSR1 Q6W5P4 1/20 0.76
CYP3A4 P08684 1/20 0.58
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC22A3 O75751 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.50
GLS O94925 1/20 0.49
PDE4D Q08499 1/20 0.49
MAOB P27338 1/20 0.48
QDPR P09417 1/20 0.48

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
SCHEMBL140947 0.86 TSHR (1.00) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL10085823 0.86 TSHR (1.00) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL1243722 0.86 TSHR (1.00) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL134326 0.86 TSHR (1.00) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL18255548 0.86 ACHE (0.57) TSHRBLMNPSR1CYP3A4KMT2A
SCHEMBL10784788 0.85 TSHR (0.97) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL28717780 0.85 TSHR (0.97) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL29538919 0.85 TSHR (0.73) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL13816533 0.85 TSHR (0.73) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL6216595 0.85 BLM (0.73) TSHRBLMNPSR1CYP3A4NFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683820-A Method for preparing aromatic alpha-hydroxy ketone by utilizing acetohydroxy acid synthase 厦门大学 2024-03-12 CN claimed
CN-117683820-A Method for preparing aromatic alpha-hydroxy ketone by utilizing acetohydroxy acid synthase 厦门大学 2024-03-12 CN disclosed