SCHEMBL9243111

SCHEMBL9243111

CC(C)(C)c1ccc(OP(=O)(O)O)c(C(C)(C)C)c1Cc1c(C(C)(C)C)ccc(OP(=O)(O)O)c1C(C)(C)C.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 10/20 0.41
INPP5A Q14642 5/20 0.41
AKT1 P31749 1/20 0.41
INPP5B P32019 2/20 0.36
SRC P12931 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PDE3A Q14432 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BLM P54132 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL5557410 0.93 INPPL1 (0.36) INPPL1INPP5AAKT1INPP5B
SCHEMBL5080249 0.92 INPPL1 (0.37) INPPL1INPP5AAKT1INPP5B
SCHEMBL1821429 0.82 INPPL1 (0.47) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL5179960 0.79 HSP90AA1 (0.30)
SCHEMBL30951029 0.79 HSP90AA1 (0.30)
SCHEMBL19305102 0.75 INPPL1 (0.43) INPPL1INPP5AAKT1INPP5BSRC
Phosphoric Acid SCHEMBL5080253 0.74 HSP90AA1 (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL1548297 0.74 INPPL1 (0.52) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL27826952 0.73 INPPL1 (0.44) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL6272824 0.73 SRC (0.41) INPPL1INPP5AAKT1INPP5BSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419677-B1 SYNDIOTACTIC POLYPROPYLENE RESIN COMPOSITION MITSUI TOATSU CHEMICALS (JP) 1995-12-27 EP claimed