SCHEMBL7759322

SCHEMBL7759322

COc1c(O[O])cccc1C(=O)OC(C)(C)CC(C)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
CNR2 P34972 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7759349 0.88 MAPK1 (0.44) KMT2APOLBHPGDKDM4EGAA
SCHEMBL7756830 0.85 UTS2R (0.35) ALDH1A1
SCHEMBL7753324 0.84 CYP3A4 (0.33) HPGDKDM4EALDH1A1TAS1R3TAS1R1
SCHEMBL7755987 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7753305 0.84 ADRB2 (0.33) KMT2AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL7757424 0.81 FABP3 (0.35) KMT2AKDM4EUSP2NPC1ALDH1A1
SCHEMBL15110860 0.72 KMT2A (0.54) KMT2APOLBHPGDKDM4ERAB9A
SCHEMBL7758006 0.71 CYP3A4 (0.33)
SCHEMBL10281593 0.69 CYP2D6 (0.51) KMT2AALDH1A1MEN1TP53L3MBTL1
SCHEMBL7758068 0.69 AAK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP disclosed