SCHEMBL5989847

SCHEMBL5989847

CC1CC(c2cccc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.42
TRPV1 Q8NER1 7/20 0.37
TRIM24 O15164 2/20 0.36
CYP11B2 P19099 4/20 0.35
CYP11B1 P15538 3/20 0.35
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9274972 0.76 ALOX5 (0.43) ALOX5TRPV1TRIM24CYP11B2CYP11B1
SCHEMBL9275295 0.74 ALOX5 (0.45) ALOX5TRPV1TRIM24CYP11B2CYP11B1
SCHEMBL9271466 0.74 ALOX5 (0.45) ALOX5TRPV1TRIM24CYP11B2CYP11B1
SCHEMBL2107548 0.74 ALOX5 (0.43) ALOX5TRPV1TRIM24CYP11B2CYP11B1
SCHEMBL9100200 0.73 ALOX5 (0.54) ALOX5TRIM24CYP11B2CYP11B1CYP17A1
SCHEMBL8979508 0.71 ALOX5 (0.46) ALOX5TRPV1TRIM24CYP11B2CYP11B1
SCHEMBL8979610 0.71 ATAD2 (0.43) ALOX5CYP11B2CYP11B1CYP1A2ALDH1A1
SCHEMBL8553346 0.71 ALOX5 (0.46) ALOX5TRPV1TRIM24CYP11B2CYP11B1
SCHEMBL8979497 0.70 ALOX5 (0.36) ALOX5TRPV1CYP11B2CYP11B1
SCHEMBL8979552 0.69 ATAD2 (0.32) ALOX5

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-1718284-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2006-11-08 EP disclosed
WO-2005075022-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2005-08-18 WO disclosed