SCHEMBL17906293

SCHEMBL17906293

CC(I)c1cccc([C@@H](C)C(=O)NCCCN(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.50
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.44
GLI1 P08151 2/20 0.41
GLI2 P10070 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR2 P41597 2/20 0.39
P2RX4 Q99571 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL4418613 0.90 HPGD (0.56) CXCL8HPGDALOX15GLI1GLI2
SCHEMBL17889101 0.90 HPGD (0.56) CXCL8HPGDALOX15GLI1GLI2
SCHEMBL17889085 0.86 CXCL8 (0.52) CXCL8HPGDALOX15GLI1GLI2
SCHEMBL4428462 0.86 CXCL8 (0.49) CXCL8HPGDALOX15GLI1GLI2
SCHEMBL17889116 0.86 CXCL8 (0.52) CXCL8HPGDALOX15GLI1GLI2
SCHEMBL4428458 0.86 CXCL8 (0.49) CXCL8HPGDALOX15GLI1GLI2
SCHEMBL17889093 0.82 CXCL8 (0.48) CXCL8HPGDALOX15GLI1GLI2
SCHEMBL4910072 0.81 GLI1 (0.64) CXCL8HPGDGLI1GLI2CA12
SCHEMBL17889135 0.81 GLI1 (0.64) CXCL8HPGDGLI1GLI2CA12
SCHEMBL11624162 0.77 GLI1 (0.61) CXCL8HPGDGLI1GLI2CA12

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-1366018-B1 OMEGA-AMINOALKYLAMIDES OF (R)-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPÉ FARMACEUTICI S P A (IT) 2016-07-06 EP disclosed