SCHEMBL8087752

SCHEMBL8087752

CCCCCCN(C(=O)c1ccccc1)S(=O)(=O)N(CCC)CCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
NAAA Q02083 1/20 0.42
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
PAX8 Q06710 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
UGT1A7 Q9HAW7 1/20 0.41

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
SCHEMBL8079261 0.86 HSD11B1 (0.45) CA12CA9CA2CNR2HSD11B1
SCHEMBL8092409 0.83 HSD11B1 (0.47) RAB9ACA12CA9CA2SMN1; SMN2
SCHEMBL28383365 0.81 GAA (0.44) CES2CES1NAAAPTGESALOX5
SCHEMBL8079204 0.79 CNR2 (0.47) RAB9AGAAHPGDNPC1CA12
SCHEMBL8090675 0.79 TAAR1 (0.43) RAB9ACA12CA9CA2SMN1; SMN2
SCHEMBL8079240 0.78 CA12 (0.40) RAB9AHPGDCA12CA9CA2
SCHEMBL8087638 0.77 TAS2R14 (0.50) RAB9AGAAHPGDNPC1SMN1; SMN2
SCHEMBL8090718 0.77 TAS2R14 (0.47) RAB9AHPGDCA12CA9CA2
SCHEMBL8086467 0.76 TAS2R14 (0.46) RAB9AHPGDCA12CA9CA2
SCHEMBL8092540 0.76 TAS2R14 (0.50) PTGESALOX5RAB9ANPC1

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-1047670-A1 AMINOSULPHONYLBENZAMIDE DERIVATIVES AS MODULATORS OF THE ACTIVITY OF NEURONAL CALCIUM CHANNELS ELI LILLY AND COMPANY LIMITED (GB) 2000-11-02 EP disclosed
WO-1999036398-A1 AMINOSULPHONYLBENZAMIDE DERIVATIVES AS MODULATORS OF THE ACTIVITY OF NEURONAL CALCIUM CHANNELS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-22 WO disclosed