SCHEMBL28753689

SCHEMBL28753689

COc1cccc(-c2cccc(C=O)c2S(=O)(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.51
▸ SLC9A1 P19634 2/20 0.44
▸ HDAC4 P56524 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TRIM24 O15164 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ TRIM33 Q9UPN9 1/20 0.42
▸ HSP90AA1 P07900 2/20 0.41
▸ HSP90AB1 P08238 2/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ EDNRB P24530 1/20 0.39
▸ EDNRA P25101 1/20 0.39

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
SCHEMBL30749667 0.82 ERN1 (0.55) ERN1HDAC4HDAC8ALDH1A1TRIM24
SCHEMBL895794 0.82 ERN1 (0.55) ERN1HDAC4HDAC8ALDH1A1TRIM24
SCHEMBL21794101 0.80 HDAC4 (0.50) ERN1SLC9A1HDAC4HDAC8ALDH1A1
SCHEMBL5736902 0.80 ERN1 (0.52) ERN1HDAC4HDAC8ALDH1A1TRIM24
SCHEMBL18002967 0.80 ERN1 (0.52) ERN1HDAC4HDAC8ALDH1A1TRIM24
SCHEMBL16180395 0.78 ERN1 (0.51) ERN1HDAC4HDAC8ALDH1A1TRIM24
SCHEMBL28757325 0.78 ERN1 (0.54) ERN1HDAC4HDAC8ALDH1A1TRIM24
SCHEMBL6404699 0.74 ERN1 (0.59) ERN1HDAC4HDAC8ALDH1A1TRIM24
SCHEMBL28395867 0.73 ERN1 (0.55) ERN1
SCHEMBL25195666 0.72 ERN1 (0.51) ERN1HDAC4HDAC8ALDH1A1TRIM24

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-1684944-A method for copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2005-10-19 — — CN disclosed
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