SCHEMBL9169779

SCHEMBL9169779

CC(C)(C)c1ccc2cc(C(c3cc4ccc(C(C)(C)C)cc4cc3C(C)(C)C)[PH](O)(O)O)c(C(C)(C)C)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN10A Q9Y5Y9 3/20 0.31
ACHE P22303 1/20 0.30
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 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
SCHEMBL9169927 0.83 NR1I2 (0.35) NR1I2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL9174353 0.82 CYP2D6 (0.35) NR1I2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL9169775 0.75 NR1I2 (0.33) NR1I2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5071888 0.73 ALDH1A1 (0.52) NR1I2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL9174345 0.72 CYP1A2 (0.32) NR1I2HSD17B10SMN1; SMN2CYP1A2CYP3A4
SCHEMBL29438045 0.71 ALDH1A1 (0.48) NR1I2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL3418351 0.71 ALDH1A1 (0.48) NR1I2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29447635 0.71 ALDH1A1 (0.48) NR1I2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL983124 0.71 ALDH1A1 (0.48) NR1I2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29438049 0.71 ALDH1A1 (0.48) NR1I2ALDH1A1HPGDALOX15HSD17B10

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
EP-0503564-B1 Method for producing an aldehyde MITSUBISHI CHEM CORP (JP) 1995-06-14 EP disclosed
US-5306839-A Ligands for hydroformylation catalysts MITSUBISHI KASEI CORPORATION (JP) 1994-04-26 US disclosed
US-5227532-A Hydroformylation of olefin, rhodium catalyst, phosphite promoter MITSUBISHI KASEI CORPORATION (JP) 1993-07-13 US disclosed
EP-0503564-A2 Method for producing an aldehyde Mitsubishi Chemical Corporation (JP) 1992-09-16 EP disclosed