SCHEMBL4445850

SCHEMBL4445850

CCc1ccc(C(OP(=O)(O)O)c2ccc(CC)cc2CC)c(CC)c1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
TRPA1 O75762 1/20 0.34
SRC P12931 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
AKT1 P31749 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL4453503 0.82 HMGCR (0.37) SMN1; SMN2CYP2C19POLBTRPA1SRC
SCHEMBL1685773 0.81 S1PR1 (0.40) S1PR1S1PR3ALDH1A1PLK1
SCHEMBL4957604 0.81 HMGCR (0.38) SMN1; SMN2CYP2C19POLBTRPA1SRC
SCHEMBL4451531 0.80 HMGCR (0.37) SMN1; SMN2CYP2C19POLBTRPA1SRC
SCHEMBL27358737 0.72 INPPL1 (0.46) SMN1; SMN2CYP2C19POLBTRPA1AKT1
SCHEMBL14498170 0.71 S1PR1 (0.37) SMN1; SMN2CYP2C19POLBS1PR1S1PR3
SCHEMBL7514265 0.71 TRPA1 (0.42) SMN1; SMN2POLBTRPA1ALDH1A1NPC1
SCHEMBL2865474 0.70 INPPL1 (0.47) SMN1; SMN2CYP2C19POLBTRPA1AKT1
SCHEMBL19114031 0.70 TRPA1 (0.38) SMN1; SMN2CYP2C19POLBTRPA1ALDH1A1
SCHEMBL9735709 0.70 CYP1A2 (0.43) SMN1; SMN2TRPA1ALDH1A1NPC1LMNA

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