SCHEMBL7777147

SCHEMBL7777147

Cc1ccc(C)c(C2(c3ccc(OCCC(C)CCCC(C)C)cc3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
ALOX5 P09917 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
FDPS P14324 2/20 0.36
TP53 P04637 1/20 0.35
GGPS1 O95749 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
GSTO1 P78417 1/20 0.32

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
SCHEMBL1755298 0.93 FDPS (0.38) PDK2ALOX5TDP1FDPSTP53
SCHEMBL680174 0.87 FDPS (0.35) PDK2ALOX5TDP1FDPSTP53
SCHEMBL5147627 0.85 FDPS (0.35) PDK2ALOX5TDP1FDPSTP53
SCHEMBL12379453 0.83 FDPS (0.34) PDK2ALOX5TDP1FDPSGGPS1
SCHEMBL14156864 0.82 ALOX5 (0.32) PDK2ALOX5TDP1FDPSTP53
SCHEMBL12522717 0.82 ALOX5 (0.32) PDK2ALOX5TDP1FDPSTP53
SCHEMBL680181 0.82 ALOX5 (0.32) PDK2ALOX5TDP1FDPSTP53
Di(Hydroxyethyl)Ether SCHEMBL7266577 0.81 ALOX5 (0.33) PDK2ALOX5FDPS
SCHEMBL27552889 0.80 PDK2 (0.39) PDK2ALOX5TDP1FDPS
SCHEMBL12619436 0.79 FDPS (0.31) FDPS

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-1123336-A1 CONJUGATED POLYMERS CONTAINING SPECIAL FLUORENE STRUCTURAL ELEMENTS WITH IMPROVED PROPERTIES Celanese Ventures GmbH (DE) 2001-08-16 EP disclosed
WO-2000022026-A1 CONJUGATED POLYMERS CONTAINING SPECIAL FLUORENE STRUCTURAL ELEMENTS WITH IMPROVED PROPERTIES CELANESE VENTURES GMBH (DE) 2000-04-20 WO disclosed