SCHEMBL4453668

SCHEMBL4453668

Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2OP(=O)(O)O)c(OP(=O)(O)O)c(C(C)(C)C)c1.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HIF1A Q16665 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SRC P12931 2/20 0.44
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
INPPL1 O15357 3/20 0.35
INPP5A Q14642 2/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL4447599 0.97 HSPA5 (0.50) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL11321233 0.92 HSPA5 (0.65) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL9330511 0.87 HSPA5 (0.49) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL8480850 0.85 SRC (0.53) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL1132177 0.85 INPPL1 (0.35) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL2334329 0.83 INPPL1 (0.36) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29612109 0.83 INPPL1 (0.36) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL4451527 0.82 HSPA5 (0.53) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL35073 0.82 INPPL1 (0.35) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL20299554 0.82 INPPL1 (0.35) HSPA5CYP2C9CYP2C19HIF1ASMN1; 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 5 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
EP-0280297-A2 High stiffness propylene polymer composition CHISSO CORPORATION (JP) 1988-08-31 EP disclosed