SCHEMBL17889093

SCHEMBL17889093

CC(C)Cc1cccc([C@@H](C)C(=O)NCCCN(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.48
TRPV1 Q8NER1 9/20 0.47
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HPGD P15428 1/20 0.45
GLI1 P08151 1/20 0.42
GLI2 P10070 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL4431747 0.85 APP (0.63) TRPV1APPBCHEACHE
SCHEMBL17889101 0.85 HPGD (0.56) CXCL8HPGDGLI1GLI2ALOX15
SCHEMBL4418613 0.85 HPGD (0.56) CXCL8HPGDGLI1GLI2ALOX15
SCHEMBL3817985 0.85 APP (0.63) TRPV1APPBCHEACHE
Hydrochloric Acid SCHEMBL4421826 0.84 APP (0.62) TRPV1APPBCHEACHE
Hydrochloric Acid SCHEMBL4743230 0.84 APP (0.62) TRPV1APPBCHEACHE
Hydrochloric Acid SCHEMBL4743234 0.84 APP (0.62) TRPV1APPBCHEACHE
SCHEMBL17906293 0.82 CXCL8 (0.50) CXCL8HPGDGLI1GLI2ALOX15
SCHEMBL4428458 0.81 CXCL8 (0.49) CXCL8HPGDGLI1GLI2ALOX15
SCHEMBL17889085 0.81 CXCL8 (0.52) CXCL8HPGDGLI1GLI2ALOX15

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-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 claimed
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