SCHEMBL4372856

SCHEMBL4372856

CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.76
CRHBP P24387 2/20 0.76
CRHR2 Q13324 2/20 0.76
GAA P10253 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
RAB9A P51151 2/20 0.71
TRPV1 Q8NER1 1/20 0.69
NPSR1 Q6W5P4 1/20 0.68
MAPK1 P28482 1/20 0.68
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA4 P22748 1/20 0.67
CA9 Q16790 1/20 0.67
CHRM1 P11229 1/20 0.65
PDE4A P27815 1/20 0.65
CXCR1 P25024 5/20 0.61
CXCR2 P25025 5/20 0.61
PTGS1 P23219 3/20 0.61
PTGS2 P35354 3/20 0.61

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
SCHEMBL3151838 1.00 MAPT (0.76) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL27291251 1.00 MAPT (0.76) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL21620312 0.87 MAPT (0.79) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL3156221 0.87 MAPT (0.74) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL1821157 0.87 MAPT (0.74) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL23367859 0.85 RAB9A (0.64) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL21620296 0.85 RAB9A (0.64) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL10050572 0.85 MAPT (0.71) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL17365594 0.84 POLB (0.66) MAPTGAASMN1; SMN2LMNA
SCHEMBL7748974 0.84 POLB (0.66) MAPTGAASMN1; SMN2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255726-B1 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-11 EP disclosed