SCHEMBL9245230

SCHEMBL9245230

CC(C)(C)c1cc(CCC(=O)OCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.41
ALOX5 P09917 1/20 0.40
HMGCR P04035 2/20 0.40
APP P05067 1/20 0.38
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
AGTR1 P30556 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL206902 0.97 GAA (0.50) GAAKMT2AMEN1ALOX5HMGCR
SCHEMBL9556875 0.93 GAA (0.46) GAAKMT2AMEN1ALOX5HMGCR
SCHEMBL7245953 0.90 GAA (0.43) GAAKMT2AMEN1ALOX5HMGCR
SCHEMBL9015651 0.89 GAA (0.47) GAAKMT2AMEN1HMGCRHTT
SCHEMBL11445121 0.88 GAA (0.54) GAAKMT2AMEN1ALOX5HMGCR
SCHEMBL3424147 0.88 GAA (0.46) GAAKMT2AMEN1ALOX5HMGCR
SCHEMBL8661216 0.87 GAA (0.50) GAAKMT2AMEN1ALOX5HMGCR
SCHEMBL208761 0.87 GAA (0.60) GAAKMT2AMEN1ALOX5APP
SCHEMBL10998107 0.86 GAA (0.44) GAAKMT2AMEN1ALOX5HMGCR
SCHEMBL132812 0.86 GAA (0.51) GAAKMT2AMEN1HMGCRHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530360-A4 PHILLIPS PETROLEUM CO (US) 1995-04-26 EP disclosed
EP-0530360-A1 GLASS-REINFORCED GRAFTED BRANCHED HIGHER ALPHA-OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1993-03-10 EP disclosed