SCHEMBL13701273

SCHEMBL13701273

CCC(C)COc1ccc(-c2ccc(-c3c(F)cc(O)cc3F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
GPR88 Q9GZN0 5/20 0.39
GPR84 Q9NQS5 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 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
SCHEMBL10053658 0.86 GPR88 (0.41) FFAR1GPR88NPC1TP53RAB9A
SCHEMBL6938802 0.82 FFAR1 (0.50) FFAR1ESR2GPR88PTGS1SLC6A2
SCHEMBL7686129 0.82 FFAR1 (0.50) FFAR1ESR2GPR88PTGS1SLC6A2
SCHEMBL10705795 0.80 FFAR1 (0.53) FFAR1GPR88NPC1RAB9AMAPT
SCHEMBL10705801 0.80 FFAR1 (0.53) FFAR1GPR88NPC1RAB9AMAPT
SCHEMBL6937523 0.77 FFAR1 (0.54) FFAR1GPR88PTGS1SLC6A2
SCHEMBL8912305 0.77 FFAR1 (0.54) FFAR1GPR88PTGS1SLC6A2
SCHEMBL10053651 0.74 MAOA (0.44) FFAR1GAANPC1TP53RAB9A
SCHEMBL10746512 0.74 CYP2C9 (0.51) FFAR1ESR2GPR88TP53SMN1; SMN2
SCHEMBL10746515 0.74 CYP2C9 (0.51) FFAR1ESR2GPR88TP53SMN1; SMN2

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-2103589-A1 Polypenylenes as liquid crystals Merck Patent GmbH (DE) 2009-09-23 EP disclosed