SCHEMBL8229686

SCHEMBL8229686

CCCOc1cc(C(C)(C)O)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
MAPT P10636 2/20 0.43
PDE4B Q07343 3/20 0.43
PDE4D Q08499 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PDE4A P27815 2/20 0.42
SMPD1 P17405 3/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
FPR2 P25090 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL8004523 0.98 PDE4B (0.42) HSD17B10MAPTPDE4BPDE4DKDM4E
Ammonia Solution, Strong SCHEMBL8004534 0.85 PDE4A (0.48) MAPTPDE4BPDE4DKDM4EPDE4A
SCHEMBL7767598 0.85 HSD17B10 (0.43) HSD17B10MAPTPDE4BPDE4DKDM4E
SCHEMBL8004519 0.85 HSD17B10 (0.43) HSD17B10MAPTPDE4BPDE4DKDM4E
SCHEMBL4970595 0.82 CA2 (0.46) HSD17B10PDE4BPDE4DPDE4AL3MBTL1
SCHEMBL17534098 0.76 CHRNB4 (0.52) HSD17B10MAPTPDE4BPDE4DKDM4E
SCHEMBL6582968 0.75 CASP1 (0.45) HSD17B10PDE4BPDE4DPDE4ASMPD1
SCHEMBL19657226 0.75 NR1H4 (0.41) MAPTL3MBTL1GAAHTT
SCHEMBL11963234 0.74 ACHE (0.63) MAPTPDE4BKDM4EHPGDL3MBTL1
SCHEMBL17131593 0.74 CA12 (0.63) HSD17B10MAPTPDE4BPDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 WO disclosed