SCHEMBL9018313

SCHEMBL9018313

CC[C@@H](C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCc3ccccc3)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P4HTM Q9NXG6 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 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
SCHEMBL9018108 1.00 ALDH1A1 (0.44) ALDH1A1POLBLMNAOPRM1OPRD1
SCHEMBL9018171 0.94 CA1 (0.45) ALDH1A1POLBLMNAOPRM1OPRD1
SCHEMBL9018332 0.94 CA1 (0.45) ALDH1A1POLBLMNAOPRM1OPRD1
SCHEMBL9018569 0.93 ALDH1A1 (0.43) ALDH1A1POLBLMNAOPRM1OPRD1
SCHEMBL9018208 0.93 ALDH1A1 (0.45) ALDH1A1POLBLMNAOPRM1OPRD1
SCHEMBL9018110 0.93 ALDH1A1 (0.46) ALDH1A1POLBLMNAOPRM1OPRD1
SCHEMBL9018135 0.91 MEN1 (0.45) LMNAOPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL9018424 0.91 MEN1 (0.45) LMNAOPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL9018212 0.91 POLB (0.49) ALDH1A1POLBLMNAOPRM1OPRD1
SCHEMBL9018140 0.91 POLB (0.49) ALDH1A1POLBLMNAOPRM1OPRD1

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