SCHEMBL5083346

SCHEMBL5083346

CCCCc1cc(C(C)(C)C)c(O)cc1C.OP(O)O.OP(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.48
TP53 P04637 4/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
TYR P14679 4/20 0.40
HTT P42858 4/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL28382405 1.00 ALOX15 (0.48) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL5083355 1.00 ALOX15 (0.48) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL529614 0.95 ALOX15 (0.51) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL3125086 0.90 ALOX15 (0.50) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL11607139 0.89 ALOX15 (0.40) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL27257334 0.89 ALOX15 (0.47) ALOX15TP53CYP2C9CYP2D6CYP2C19
Phosphoric Acid SCHEMBL29156890 0.88 ALOX15 (0.46) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL5073267 0.87 ALOX15 (0.52) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL2163484 0.87 ALOX15 (0.52) ALOX15TP53CYP2C9CYP2D6CYP2C19
SCHEMBL30471645 0.87 ALOX15 (0.52) ALOX15TP53CYP2C9CYP2D6CYP2C19

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-1917304-A1 PROPYLENE BASED RESIN COMPOSITION Mitsui Chemicals, Inc. (JP) 2008-05-07 EP disclosed
WO-2007023996-A1 PROPYLENE BASED RESIN COMPOSITION MITSUI CHEMICALS, INC. (JP) 2007-03-01 WO disclosed