SCHEMBL9018319

SCHEMBL9018319

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 6/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
GAA P10253 3/20 0.35
P4HTM Q9NXG6 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL9018399 0.94 HSD17B10 (0.45) LMNAALDH1A1POLBHSD17B10RAB9A
SCHEMBL9018443 0.93 CA1 (0.37) LMNAALDH1A1POLBCA1CA2
SCHEMBL9018549 0.90 LMNA (0.43) LMNAALDH1A1POLBRAB9AMMP2
SCHEMBL9018389 0.90 LMNA (0.41) LMNAALDH1A1POLBHSD17B10RAB9A
SCHEMBL9018176 0.89 LMNA (0.47) LMNAALDH1A1POLBRAB9AMMP2
SCHEMBL9018030 0.88 LMNA (0.39) LMNAALDH1A1POLBMMP2
SCHEMBL9141719 0.88 P4HTM (0.41) LMNAALDH1A1POLBHSD17B10RAB9A
SCHEMBL9018364 0.86 ALDH1A1 (0.45) LMNAALDH1A1POLBHSD17B10RAB9A
SCHEMBL9017984 0.86 ALDH1A1 (0.47) LMNAALDH1A1POLBHSD17B10RAB9A
SCHEMBL9018401 0.86 ALDH1A1 (0.41) LMNAALDH1A1POLBHSD17B10RAB9A

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