SCHEMBL16624805

SCHEMBL16624805

CCc1cccc(COc2cccc(-c3ccc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)cn3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.42
FFAR1 O14842 3/20 0.41
MAOB P27338 4/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
BCHE P06276 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PDE4A P27815 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
SCHEMBL20101406 0.93 FFAR1 (0.41) ACSS2FFAR1MAOBCYP11B1CYP11B2
SCHEMBL17954297 0.92 FYN (0.43) FFAR1MAOBCYP11B1CYP11B2BCHE
SCHEMBL16627148 0.91 FYN (0.39) ACSS2FFAR1MAOBCYP11B1CYP11B2
SCHEMBL16631068 0.88 MAOB (0.47) ACSS2FFAR1MAOBBCHESMN1; SMN2
SCHEMBL16624803 0.88 MRGPRX4 (0.47) FFAR1MAPTKDM4EALDH1A1HPGD
SCHEMBL16624801 0.86 FFAR1 (0.47) FFAR1MAPTKDM4EALDH1A1HPGD
SCHEMBL16624624 0.84 CYP4F2 (0.42) FFAR1MAOBCYP11B1CYP11B2MAPT
SCHEMBL16624847 0.84 CASP3 (0.50) CYP11B1CYP11B2MAPTSMN1; SMN2CASP3
SCHEMBL17954293 0.83 CYP11B1 (0.45) FFAR1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL16628094 0.83 CYP11B1 (0.45) FFAR1CYP11B1CYP11B2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed