SCHEMBL5281256

SCHEMBL5281256

CC(C)(C(=O)O)c1cc(-c2ccccc2)c2n1CCC2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL6487543 0.79 ALOX5 (0.39) ALOX5MEN1KMT2APTGS1KDM4E
SCHEMBL6475634 0.75 MEN1 (0.48) ALOX5MEN1KMT2APTGS1
SCHEMBL6477062 0.73 HPGD (0.43) ALOX5MEN1KMT2APTGS1KDM4E
SCHEMBL6475630 0.72 ALOX5 (0.45) ALOX5MEN1KMT2AGAAPTGS1
SCHEMBL1394083 0.69 PTGES (0.58) ALOX5PTGS1PTGS2
SCHEMBL7479874 0.68 ALOX5 (0.42) ALOX5MEN1KMT2APTGS1KDM4E
SCHEMBL10445152 0.65 CYP2D6 (0.37) ALOX5MEN1KMT2APTGS1PTGS2
SCHEMBL6483130 0.63 PTGS2 (0.46) PTGS1PTGS2
SCHEMBL1514634 0.62 KMT2A (0.76) ALOX5MEN1KMT2AGAAPTGS1
SCHEMBL9458579 0.60 ALOX5 (1.00) ALOX5MEN1KMT2APTGS1

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-1861404-A1 POLYMORPHIC FORM OF 6- (4-CHLOROPHENYL) -2, 2-DIMETHYL-7-PHENYL-2, 3-DIHYDRO-LH-PYRROLIZIN-5-YLACETIC ACID MERCKLE GMBH (DE) 2007-12-05 EP disclosed
WO-2006100019-A1 POLYMORPHIC FORM OF 6- (4-CHLOROPHENYL) -2, 2-DIMETHYL-7-PHENYL-2, 3-DIHYDRO-LH-PYRROLIZIN-5-YLACETIC ACID MERCKLE GMBH (DE) 2006-09-28 WO disclosed