SCHEMBL5147627

SCHEMBL5147627

Cc1ccc(C)c(C2(c3ccc(OCCC(C)CCCC(C)C)cc3)c3cc(B(O)O)ccc3-c3ccc(B(O)O)cc32)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.35
ALOX5 P09917 1/20 0.35
PDK2 Q15119 1/20 0.34
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GGPS1 O95749 1/20 0.32
GSTO1 P78417 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
Di(Hydroxyethyl)Ether SCHEMBL7266577 0.95 ALOX5 (0.33) FDPSALOX5PDK2
SCHEMBL1755298 0.92 FDPS (0.38) FDPSALOX5PDK2TP53GAA
Ethylene SCHEMBL7266572 0.91 ALOX5 (0.31) FDPSALOX5
SCHEMBL4581912 0.90 ALOX5 (0.30) ALOX5
SCHEMBL680174 0.86 FDPS (0.35) FDPSALOX5PDK2TP53GAA
SCHEMBL7777147 0.85 PDK2 (0.41) FDPSALOX5PDK2TP53GAA
SCHEMBL14156864 0.81 ALOX5 (0.32) FDPSALOX5PDK2TP53TDP1
SCHEMBL12522717 0.81 ALOX5 (0.32) FDPSALOX5PDK2TP53GSTO1
SCHEMBL680181 0.81 ALOX5 (0.32) FDPSALOX5PDK2TP53GSTO1
SCHEMBL12379453 0.81 FDPS (0.34) FDPSALOX5PDK2GGPS1TDP1

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
US-7288617-B2 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2007-10-30 US disclosed
US-20040135131-A1 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2004-07-15 US disclosed