SCHEMBL7580544

SCHEMBL7580544

CCOC(=O)CCCc1ccc(CCCC(=O)OCC)c(C#N)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.54
CYP4A11 Q02928 3/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX5 P09917 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP4Z1 Q86W10 1/20 0.44
CYP4F11 Q9HBI6 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 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
SCHEMBL7607076 0.87 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2CYP2C9CYP2C19
SCHEMBL17922634 0.79 CYP4F2 (0.46) CYP4F2CYP4A11CYP1A2CYP2C9CYP2C19
SCHEMBL30353239 0.79 CYP4F2 (0.46) CYP4F2CYP4A11CYP1A2CYP2C9CYP2C19
SCHEMBL25909326 0.78 MEN1 (0.44) CYP4F2CYP4A11CYP1A2SMN1; SMN2TDP1
SCHEMBL8466268 0.78 CYP4Z1 (0.54) CYP4F2CYP4A11CYP1A2CYP2C9CYP2C19
SCHEMBL7604527 0.78 MGLL (0.43) CYP4F2CYP4A11CYP1A2CYP2C9CYP2C19
SCHEMBL7604523 0.78 MGLL (0.43) CYP4F2CYP4A11CYP1A2CYP2C9CYP2C19
SCHEMBL16047763 0.77 CYP4F2 (0.47) CYP4F2CYP4A11CYP2C9CYP2C19TDP1
SCHEMBL2135834 0.77 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP2C9CYP2C19
SCHEMBL7574892 0.76 ALDH1A1 (0.43) CYP4F2CYP4A11CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed
EP-1238016-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS Gentian AS (NO) 2002-09-11 EP disclosed
WO-2001042368-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR PRECURSORS GENTIAN AS (NO) 2001-06-14 WO disclosed