SCHEMBL4447601

SCHEMBL4447601

CC(C)(C)c1ccc(C(C)(OP(=O)(O)OP(=O)(O)O)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.[BaH2]

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
NR1I2 O75469 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
SCHEMBL4960067 0.99 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4446418 0.97 ALDH1A1 (0.32) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4447781 0.94 ALDH1A1 (0.30) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4447592 0.88 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10447765 0.87 ACLY (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4443731 0.85 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4443601 0.85 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4451524 0.85 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9330560 0.81 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7806633 0.77 APEX1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1

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