SCHEMBL16631081

SCHEMBL16631081

COC(=O)c1cccc(CCCc2cccc(-c3ccc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)cn3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FAAH O00519 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GABRG2 P18507 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
SCHEMBL16624803 0.90 MRGPRX4 (0.47) FFAR1SMN1; SMN2MAPTMRGPRX4KDM4E
SCHEMBL16627150 0.84 FFAR1 (0.47) FFAR1FAAHCYP4F2CYP4A11CASP3
SCHEMBL17954293 0.81 CYP11B1 (0.45) FFAR1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL16628094 0.79 CYP11B1 (0.45) FFAR1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL16631062 0.78 CYP11B1 (0.47) FFAR1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL20101406 0.78 FFAR1 (0.41) FFAR1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL16624805 0.77 ACSS2 (0.42) FFAR1SMN1; SMN2MAPTCYP4F2CYP4A11
SCHEMBL17954297 0.77 FYN (0.43) FFAR1SMN1; SMN2MAPTCYP4F2CYP4A11
SCHEMBL16624847 0.76 CASP3 (0.50) SMN1; SMN2MAPTTP53RAB9ARXFP1
SCHEMBL17954315 0.75 CASP3 (0.46) FFAR1SMN1; SMN2MAPTRAB9ARXFP1

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-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed