SCHEMBL9018322

SCHEMBL9018322

CCCCCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
STS P08842 2/20 0.47
ALDH1A1 P00352 5/20 0.44
CNR1 P21554 1/20 0.44
POLB P06746 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9018387 0.99 STS (0.48) HSD17B10STSALDH1A1CNR1POLB
SCHEMBL9018529 0.99 STS (0.48) HSD17B10STSALDH1A1CNR1POLB
SCHEMBL9018151 0.97 HSD17B10 (0.52) HSD17B10STSALDH1A1CNR1POLB
SCHEMBL9018243 0.94 ALDH1A1 (0.50) HSD17B10ALDH1A1POLBLMNA
SCHEMBL9018292 0.91 HSD17B10 (0.48) HSD17B10STSALDH1A1POLBTRPV1
SCHEMBL9018453 0.91 HSD17B10 (0.48) HSD17B10STSALDH1A1CNR1POLB
SCHEMBL9018451 0.90 HSD17B10 (0.50) HSD17B10STSALDH1A1LMNA
SCHEMBL9018125 0.90 HSD17B10 (0.48) HSD17B10STSALDH1A1CNR1POLB
SCHEMBL9018176 0.88 LMNA (0.47) ALDH1A1POLBLMNA
SCHEMBL9018401 0.87 ALDH1A1 (0.41) HSD17B10STSALDH1A1POLBLMNA

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
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed