SCHEMBL3468087

SCHEMBL3468087

COc1ccc(Cc2c(O)n[nH]c2C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 5/20 0.56
MAPT P10636 2/20 0.44
GPR55 Q9Y2T6 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
SLC5A1 P13866 3/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MPI P34949 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL12589052 0.84 SLC5A2 (0.53) SLC5A2SLC5A1LMNA
SCHEMBL3769458 0.81 MAPT (0.41) SLC5A2MAPTGPR55CNR1CNR2
SCHEMBL1682189 0.80 SLC5A1 (0.53) SLC5A2SLC5A1ALDH1A1CYP2D6ATM
SCHEMBL16084194 0.73 SLC5A2 (0.36) SLC5A2MAPTGPR55CNR1CNR2
SCHEMBL2254896 0.73 SLC5A2 (1.00) SLC5A2SLC5A1
SCHEMBL1754055 0.72 ALDH1A1 (0.42) SLC5A2MAPTALDH1A1CYP2D6ATM
SCHEMBL29535706 0.71 LTA4H (0.41) SLC5A2MAPTALDH1A1CYP2D6ATM
SCHEMBL2257910 0.71 ALDH1A1 (0.57) SLC5A2ALDH1A1CYP2D6ATMLMNA
SCHEMBL13274242 0.69 GAA (0.45) MAPTALDH1A1CYP2D6ATMLMNA
SCHEMBL3633161 0.68 ALDH1A1 (0.50) SLC5A2SLC5A1ALDH1A1CYP2D6ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077623-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF FLUOROGLYCOSIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed
WO-2010077623-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF FLUOROGLYCOSIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed