SCHEMBL8601466

SCHEMBL8601466

CCCCCCCCCC=COc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
PPARA Q07869 2/20 0.45
SOAT2 O75908 1/20 0.44
SOAT1 P35610 1/20 0.44
EPHX2 P34913 3/20 0.42
FAAH O00519 2/20 0.42
PPARG P37231 1/20 0.42
CNR1 P21554 2/20 0.41
KCNH2 Q12809 2/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL31106429 1.00 LTA4H (0.47) LTA4HPPARASOAT2SOAT1EPHX2
SCHEMBL28710286 1.00 LTA4H (0.47) LTA4HPPARASOAT2SOAT1EPHX2
SCHEMBL29653962 0.98 LTA4H (0.46) LTA4HPPARASOAT2SOAT1EPHX2
SCHEMBL28819472 0.91 CNR1 (0.44) FAAHCNR1CNR2
SCHEMBL6690592 0.90 FASN (0.45) LTA4HPPARASOAT2SOAT1EPHX2
SCHEMBL28078005 0.85 LTA4H (0.42) LTA4HLMNAHTTSMN1; SMN2
SCHEMBL11742595 0.82 EPHX2 (0.39) LTA4HPPARAEPHX2FAAHPPARG
SCHEMBL10420432 0.81 LTA4H (0.46) LTA4HPPARASOAT2SOAT1EPHX2
SCHEMBL10639345 0.81 LTA4H (0.46) LTA4HPPARASOAT2SOAT1EPHX2
SCHEMBL1720912 0.81 LTA4H (0.46) LTA4HPPARASOAT2SOAT1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823068-A1 COLOR-PROVIDING COMPOUNDS POLAROID CORPORATION (US) 1998-02-11 EP disclosed
WO-1997031295-A1 COLOR-PROVIDING COMPOUNDS POLAROID CORPORATION (US) 1997-08-28 WO disclosed
EP-0765418-A1 METHOD FOR PRODUCING CELLULOSE PULP AND USE OF A COMPOUND IN THE METHOD Eka Chemicals AB (SE) 1997-04-02 EP disclosed
WO-1995034716-A1 METHOD FOR PRODUCING CELLULOSE PULP AND USE OF A COMPOUND IN THE METHOD EKA CHEMICALS AB (SE) 1995-12-21 WO disclosed