SCHEMBL8749291

SCHEMBL8749291

COC(=O)C(C)Oc1cc(OC)cc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SCN8A Q9UQD0 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.43
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8749252 0.90 FFAR1 (0.50) FFAR1MAPTKDM4EMEN1TTR
SCHEMBL732095 0.90 FFAR1 (0.58) FFAR1MAPTKDM4ESCN8ASCN10A
SCHEMBL11258317 0.86 FFAR1 (0.54) FFAR1MAPTKDM4ESCN8ASCN10A
SCHEMBL147772 0.86 FFAR1 (0.51) FFAR1MAPTKDM4ESCN8ASCN10A
SCHEMBL941173 0.86 FFAR1 (0.51) FFAR1MAPTKDM4ESCN8ASCN10A
SCHEMBL29382403 0.86 FFAR1 (0.51) FFAR1MAPTKDM4ESCN8ASCN10A
SCHEMBL8749233 0.85 FFAR1 (0.50) FFAR1MAPTKDM4ESCN8ASCN10A
SCHEMBL11442480 0.84 FFAR1 (0.52) FFAR1MAPTKDM4ESCN8ASCN10A
SCHEMBL7813538 0.82 SCN8A (0.46) FFAR1SCN8ASCN10AMAPK1MRGPRX4
SCHEMBL11436042 0.82 FFAR1 (0.49) FFAR1MAPTKDM4ESCN8ASCN10A

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
EP-0768085-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-16 EP disclosed
EP-0761215-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed