SCHEMBL9018191

SCHEMBL9018191

CCOC(=O)C(C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)CC3CCCCC3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CNR1 P21554 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL9018250 0.90 EPHX2 (0.43) EPHX2OPRM1OPRD1CA1CA2
SCHEMBL9018312 0.90 EPHX2 (0.47) EPHX2OPRM1OPRD1LMNAMAPT
SCHEMBL9139537 0.89 EPHX2 (0.40) EPHX2CA1CA2CA7CA9
SCHEMBL9018284 0.84 MEN1 (0.38) LMNAMAPTSMN1; SMN2CYP3A4HTR1A
SCHEMBL9018170 0.84 LMNA (0.46) EPHX2OPRM1OPRD1LMNAMAPT
SCHEMBL9018101 0.83 EPHX2 (0.43) EPHX2OPRM1OPRD1LMNAMAPT
SCHEMBL7862673 0.83 EPHX2 (0.44) EPHX2LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL7867707 0.83 EPHX2 (0.46) EPHX2LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL9018367 0.83 LMNA (0.42) EPHX2OPRM1OPRD1LMNAMAPT
SCHEMBL9018188 0.83 LMNA (0.42) EPHX2OPRM1OPRD1LMNAMAPT

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