SCHEMBL5749321

SCHEMBL5749321

CCC1CN(c2ccc(C(F)(F)F)cn2)CCN1S(=O)(=O)c1ccc(C)c(CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.44
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40

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
SCHEMBL27754688 0.90 SMN1; SMN2 (0.43) SMN1; SMN2HPGDKDM4ELMNAHTT
SCHEMBL27734620 0.90 SMN1; SMN2 (0.43) SMN1; SMN2HPGDKDM4ELMNAHTT
SCHEMBL5747494 0.90 CXCR3 (0.47) HSD11B1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL5746954 0.88 NR1H2 (0.47) SMN1; SMN2HPGDNR1H2NR1H3KDM4E
SCHEMBL6354804 0.87 SMN1; SMN2 (0.43) SMN1; SMN2HPGDKDM4ELMNAHTT
SCHEMBL5748046 0.87 SMN1; SMN2 (0.43) SMN1; SMN2HPGDKDM4ELMNAHTT
SCHEMBL5746828 0.87 SMN1; SMN2 (0.43) SMN1; SMN2HPGDKDM4ELMNAHTT
SCHEMBL5487074 0.84 KDM4E (0.59) SMN1; SMN2HPGDKDM4ELMNAHTT
SCHEMBL5795980 0.84 CXCR3 (0.48) NR1H2NR1H3KDM4EF13A1TGM2
SCHEMBL5778752 0.82 NR1H2 (0.40) SMN1; SMN2HPGDNR1H2NR1H3KDM4E

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-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed