SCHEMBL9018081

SCHEMBL9018081

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
P4HTM Q9NXG6 2/20 0.37
EGFR P00533 2/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL9018067 0.92 LMNA (0.40) LMNAALDH1A1POLBP4HTMEGFR
SCHEMBL9018389 0.92 LMNA (0.41) LMNAALDH1A1POLBP4HTMEGFR
SCHEMBL9018063 0.91 LMNA (0.44) LMNAALDH1A1POLBP4HTMEGFR
SCHEMBL9018211 0.91 ALDH1A1 (0.46) LMNAALDH1A1POLBP4HTMEGFR
SCHEMBL9018138 0.90 ACACB (0.44) LMNAALDH1A1POLBP4HTMEGFR
SCHEMBL9018125 0.89 HSD17B10 (0.48) LMNAALDH1A1POLBCA1CA2
SCHEMBL9018223 0.89 CA1 (0.49) LMNAALDH1A1P4HTMEGFROPRM1
SCHEMBL9018443 0.89 CA1 (0.37) LMNAALDH1A1POLBP4HTMEGFR
SCHEMBL9018569 0.88 ALDH1A1 (0.43) LMNAALDH1A1POLBP4HTMOPRM1
SCHEMBL9018129 0.88 CA1 (0.46) LMNAALDH1A1POLBP4HTMOPRM1

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