SCHEMBL9018569

SCHEMBL9018569

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCc3ccccc3)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
P4HTM Q9NXG6 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL9018129 0.93 CA1 (0.46) ALDH1A1OPRM1OPRD1OPRK1POLB
SCHEMBL9018198 0.93 OPRM1 (0.40) ALDH1A1OPRM1OPRD1OPRK1POLB
SCHEMBL9018108 0.93 ALDH1A1 (0.44) ALDH1A1OPRM1OPRD1OPRK1POLB
SCHEMBL9018313 0.93 ALDH1A1 (0.44) ALDH1A1OPRM1OPRD1OPRK1POLB
SCHEMBL9018211 0.93 ALDH1A1 (0.46) ALDH1A1OPRM1OPRD1OPRK1POLB
SCHEMBL9018110 0.92 ALDH1A1 (0.46) ALDH1A1OPRM1OPRD1OPRK1POLB
SCHEMBL9017989 0.92 NPC1 (0.48) OPRM1OPRD1OPRK1LMNAP4HTM
SCHEMBL9018125 0.91 HSD17B10 (0.48) ALDH1A1POLBLMNARAB9A
SCHEMBL9018380 0.91 MEN1 (0.46) OPRM1OPRD1OPRK1LMNAP4HTM
SCHEMBL9018484 0.90 POLB (0.49) ALDH1A1OPRM1OPRD1OPRK1POLB

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