SCHEMBL20101406

SCHEMBL20101406

CCCc1cccc(COc2cccc(-c3ccc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)cn3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
BCHE P06276 3/20 0.40
MAOB P27338 4/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCB1 P08183 1/20 0.37
PDE4A P27815 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
SCHEMBL16624805 0.93 ACSS2 (0.42) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL17954297 0.90 FYN (0.43) FFAR1BCHEMAOBCYP11B1CYP11B2
SCHEMBL16627148 0.86 FYN (0.39) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL16624803 0.84 MRGPRX4 (0.47) FFAR1KDM4EALDH1A1MAPTHPGD
SCHEMBL16624801 0.84 FFAR1 (0.47) FFAR1KDM4EALDH1A1MAPTHPGD
SCHEMBL16624624 0.83 CYP4F2 (0.42) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL16627141 0.83 FFAR1 (0.45) FFAR1BCHEMAOBPPARD
SCHEMBL17954293 0.82 CYP11B1 (0.45) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL16628094 0.82 CYP11B1 (0.45) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL16631062 0.81 CYP11B1 (0.47) FFAR1CASP3SENP8SENP7SENP6

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
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP disclosed