SCHEMBL28858320

SCHEMBL28858320

O=C(O)C(Cc1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.63
PPARG P37231 3/20 0.59
PPARA Q07869 2/20 0.59
EPHX1 P07099 2/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCHE P06276 3/20 0.48
BACE1 P56817 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 1/20 0.48
PNMT P11086 1/20 0.48
EPHX2 P34913 1/20 0.47
P4HTM Q9NXG6 1/20 0.46

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
SCHEMBL6379877 0.89 ACP3 (0.51) ACP3PPARGPPARAEPHX1MEN1
SCHEMBL6381008 0.89 ACP3 (0.51) ACP3PPARGPPARAEPHX1MEN1
SCHEMBL27750719 0.89 ACP3 (0.60) ACP3PPARGPPARAEPHX1MEN1
SCHEMBL28107956 0.89 EPHX1 (0.65) ACP3PPARGPPARAEPHX1MEN1
SCHEMBL6379333 0.86 ACP3 (0.48) ACP3PPARGPPARAEPHX1MEN1
SCHEMBL6476353 0.85 FFAR1 (0.54) ACP3PPARGPPARAEPHX2
SCHEMBL3965998 0.84 HTR2A (0.51) ACP3PPARGPPARAEPHX1MEN1
SCHEMBL6368425 0.83 CHRM2 (0.54) ACP3PPARGPPARAEPHX1MEN1
SCHEMBL6368429 0.83 CHRM2 (0.54) ACP3PPARGPPARAEPHX1MEN1
SCHEMBL6368432 0.83 CHRM2 (0.54) ACP3PPARGPPARAEPHX1MEN1

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
CN-105330630-B Benzofuran compounds and its preparation method and application 上海交通大学 2018-04-17 CN disclosed