SCHEMBL7779067

SCHEMBL7779067

CC(C)Cc1ccc(C(C)C(=O)NS(=O)(=O)CCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 4/20 0.55
CXCR2 P25025 4/20 0.55
PTGS2 P35354 4/20 0.49
CHRM1 P11229 1/20 0.47
PDE4A P27815 1/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS1 P23219 2/20 0.44
ALB P02768 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL6330554 1.00 CXCR1 (0.55) CXCR1CXCR2PTGS2CHRM1PDE4A
SCHEMBL6320504 0.85 CXCR1 (0.53) CXCR1CXCR2PTGS2CHRM1PDE4A
SCHEMBL27568101 0.83 HPGD (0.53) PTGS2LMNARAB9APTGS1CYP2C9
SCHEMBL7154919 0.81 PTGS1 (0.49) PTGS2LMNATRPV1PTGS1ALOX5
SCHEMBL27568086 0.81 PTGS1 (0.49) PTGS2LMNATRPV1PTGS1ALOX5
SCHEMBL27547914 0.81 PTGS1 (0.52) CXCR1CXCR2PTGS2MAPTLMNA
SCHEMBL7159171 0.81 PTGS1 (0.52) CXCR1CXCR2PTGS2MAPTLMNA
SCHEMBL6281212 0.78 CXCR1 (0.67) CXCR1CXCR2PTGS2CHRM1PDE4A
SCHEMBL27573450 0.77 CXCR1 (0.68) CXCR1CXCR2PTGS2CHRM1PDE4A
SCHEMBL1114395 0.77 PTGS1 (0.53) CXCR1CXCR2PTGS2LMNAPTGS1

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-1123276-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM Dompe' S.P.A. (IT) 2001-08-16 EP disclosed
WO-2000024710-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2000-05-04 WO disclosed