SCHEMBL14775709

SCHEMBL14775709

O=C(O)O[C@@H]1COc2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
FFAR1 O14842 3/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
CYP2C19 P33261 1/20 0.39
HCRTR2 O43614 1/20 0.38
DAO P14920 1/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MGLL Q99685 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
NPSR1 Q6W5P4 4/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL14775665 0.86 CYP19A1 (0.42) FFAR1KDM4EALDH1A1LMNAMAPT
SCHEMBL14775689 0.81 NPC1 (0.44) FFAR1KDM4EALDH1A1LMNANPSR1
SCHEMBL909079 0.79 GAA (0.44) PTGS1PTGS2FFAR1KDM4EALDH1A1
SCHEMBL909078 0.79 GAA (0.44) PTGS1PTGS2FFAR1KDM4EALDH1A1
SCHEMBL909917 0.79 GAA (0.44) PTGS1PTGS2FFAR1KDM4EALDH1A1
SCHEMBL7446942 0.77 GAA (0.45) PTGS1PTGS2FFAR1ALDH1A1HPGD
SCHEMBL9800594 0.76 HTT (0.50) ALDH1A1HPGDHSD17B10CYP2C19KMT2A
SCHEMBL5172603 0.76 HTT (0.50) ALDH1A1HPGDHSD17B10CYP2C19KMT2A
SCHEMBL5169684 0.76 HTT (0.50) ALDH1A1HPGDHSD17B10CYP2C19KMT2A
SCHEMBL909704 0.73 PTGS1 (0.47) PTGS1PTGS2FFAR1HPGDCYP2C19

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-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP claimed