SCHEMBL16627148

SCHEMBL16627148

CCc1cc(CO)cc(COc2cccc(-c3ccc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)cn3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.39
MAPT P10636 9/20 0.39
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
FFAR1 O14842 2/20 0.36
GAA P10253 1/20 0.36
ACSS2 Q9NR19 1/20 0.36

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
SCHEMBL17954297 0.92 FYN (0.43) FYNMAPTKDM4EALDH1A1HPGD
SCHEMBL16624805 0.91 ACSS2 (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL20101406 0.86 FFAR1 (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16624624 0.85 CYP4F2 (0.42) MAPTSMN1; SMN2CYP11B1CYP11B2FFAR1
SCHEMBL16624803 0.83 MRGPRX4 (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16618237 0.82 MAOB (0.47) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL17954293 0.82 CYP11B1 (0.45) FYNMAPTKDM4EALDH1A1HPGD
SCHEMBL17954315 0.82 CASP3 (0.46) FYNMAPTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL16624847 0.81 CASP3 (0.50) MAPTSMN1; SMN2CYP11B1CYP11B2CASP3
SCHEMBL16624801 0.81 FFAR1 (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed