SCHEMBL4445845

SCHEMBL4445845

CCc1cc(CC)c(OP(=O)(O)O)c(Cc2cc(CC)cc(CC)c2OP(=O)(O)O)c1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 8/20 0.39
INPP5A Q14642 5/20 0.38
SRC P12931 2/20 0.38
BLM P54132 1/20 0.38
HSPA5 P11021 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKT1 P31749 2/20 0.37
INPP5B P32019 2/20 0.36
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PTGS2 P35354 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL4453501 0.85 HSPA5 (0.53) INPPL1INPP5ASRCBLMHSPA5
SCHEMBL4957599 0.83 HSPA5 (0.54) INPPL1INPP5ASRCBLMHSPA5
SCHEMBL4451527 0.82 HSPA5 (0.53) INPPL1INPP5ASRCBLMHSPA5
SCHEMBL6318720 0.80 NPC1 (0.37) INPPL1INPP5ASRCBLMINPP5B
SCHEMBL27358737 0.72 INPPL1 (0.46) INPPL1INPP5ABLMCYP2C19SMN1; SMN2
SCHEMBL4453764 0.72 SRC (0.49) INPPL1INPP5ASRCBLMHSPA5
SCHEMBL11195710 0.72 INPPL1 (0.60) INPPL1INPP5ASRCBLMCYP2C19
SCHEMBL27750960 0.71 NPC1 (0.41) INPPL1INPP5ASRCAKT1INPP5B
Phosphoric Acid SCHEMBL27740009 0.71 HSPA5 (0.44) INPPL1INPP5ASRCBLMHSPA5
SCHEMBL2865474 0.70 INPPL1 (0.47) INPPL1INPP5ABLMCYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531605-B2 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU KOSAN CO., LTD. (JP) 2009-05-12 US disclosed
EP-1375538-B1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU KOSAN CO (JP) 2008-01-09 EP disclosed
US-20040106738-A1 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1375538-A1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-01-02 EP disclosed