SCHEMBL4451351

SCHEMBL4451351

CCCC(OP(=O)(O)O)(c1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
SMPD1 P17405 3/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4443601 0.80 ALDH1A1 (0.35) HSP90AA1HSP90AB1SMN1; SMN2MAPTHDAC8
SCHEMBL28031952 0.77 SMPD1 (0.40) NR5A2NR5A1SMPD1S1PR2S1PR4
SCHEMBL4451524 0.77 ALDH1A1 (0.35) HSP90AA1HSP90AB1SMN1; SMN2MAPTHDAC8
SCHEMBL4443731 0.77 ALDH1A1 (0.35) HSP90AA1HSP90AB1SMN1; SMN2MAPTHDAC8
SCHEMBL4443872 0.75 SMN1; SMN2 (0.34) SMPD1S1PR2S1PR4S1PR1S1PR3
SCHEMBL9351787 0.74 ESR1 (0.31) ESR1ESR2CYP2C9ALDH1A1HPGD
SCHEMBL10414674 0.74 ESR1 (0.31) ESR1ESR2CYP2C9ALDH1A1HPGD
SCHEMBL28204027 0.72 SMPD1 (0.38) SMPD1S1PR2S1PR4S1PR1S1PR3
SCHEMBL472671 0.72 SMPD1 (0.35) HSP90AA1HSP90AB1NR5A2NR5A1SMPD1
SCHEMBL4447592 0.71 ALDH1A1 (0.35) HSP90AA1HSP90AB1SMN1; SMN2MAPTHDAC8

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