SCHEMBL15716142

SCHEMBL15716142

CC(C)(C)OC(=O)c1ccc(CCCOC(=O)CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.44
CYP4F2 P78329 1/20 0.43
PPARG P37231 3/20 0.42
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CTDSP1 Q9GZU7 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
MAPT P10636 1/20 0.38
RXRA P19793 1/20 0.38
NR1H2 P55055 1/20 0.38
CA12 O43570 1/20 0.38

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
Phenol SCHEMBL16011615 0.84 ESR1 (0.45) PPARGLMNACTDSP1KDM4ESMN1; SMN2
SCHEMBL2690874 0.83 MAPT (0.48) LMNAHSD17B10KDM4ESMN1; SMN2NPC1
SCHEMBL21577923 0.79 HSD17B10 (0.55) CYP4A11CYP4F2HSD17B10NR1H4SMN1; SMN2
SCHEMBL1743772 0.78 MAPT (0.54) CYP4A11CYP4F2HSD17B10NR1H4SMN1; SMN2
SCHEMBL3790673 0.77 NR1H4 (0.51) LMNAHSD17B10NR1H4FFAR1RXRA
SCHEMBL7855043 0.77 CYP4A11 (0.68) CYP4A11CYP4F2HSD17B10RXRANR1H2
SCHEMBL8997287 0.77 CYP4A11 (0.54) CYP4A11CYP4F2RXRANR1H2CA12
SCHEMBL8465670 0.77 LMNA (0.64) LMNACTDSP1KDM4ESMN1; SMN2FFAR1
SCHEMBL8293510 0.76 RARB (0.55) CYP4A11CYP4F2ALDH1A1MAPT
SCHEMBL1560634 0.76 CYP4A11 (0.69) CYP4A11CYP4F2NR1H2CA12CA1

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-2920142-A1 METHANOFULLERENES Robinson, Alex Philip, Graham (GB) 2015-09-23 EP disclosed
WO-2014190070-A1 FULLERENES ROBINSON ALEX PHILIP GRAAHAM (US) 2014-11-27 WO disclosed
WO-2014137663-A1 METHANOFULLERENES ROBINSON ALEX PHILIP GRAHAM (GB) 2014-09-12 WO disclosed
WO-2014078097-A1 METHANOFULLERENES ROBINSON ALEX PHILIP GRAHAM (GB) 2014-05-22 WO disclosed