SCHEMBL3633492

SCHEMBL3633492

CCOc1ccc(C(C)(C)C(O)Cc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.51
LTA4H P09960 1/20 0.50
FFAR1 O14842 4/20 0.45
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
PPARD Q03181 2/20 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
SCHEMBL9029858 0.86 LTA4H (0.50) CETPLTA4HFFAR1PPARGPPARA
SCHEMBL5531594 0.84 LTA4H (0.48) CETPLTA4HFFAR1PPARGPPARA
SCHEMBL7528693 0.79 FFAR1 (0.50) CETPLTA4HFFAR1PPARGPPARA
SCHEMBL9848777 0.79 FFAR1 (0.48) CETPLTA4HFFAR1PPARGPPARA
SCHEMBL27822189 0.78 NPC1 (0.51) LTA4HFFAR1PPARGPPARANPC1
SCHEMBL6908907 0.78 LTA4H (0.47) CETPLTA4HFFAR1NPC1POLB
SCHEMBL8613003 0.77 LTA4H (0.51) CETPLTA4HFFAR1PPARGPPARA
SCHEMBL9799770 0.77 LTA4H (0.54) CETPLTA4HFFAR1PPARANPC1
Etofenprox SCHEMBL421768 0.76 LTA4H (0.53) CETPLTA4HFFAR1NPC1POLB
SCHEMBL10768533 0.76 LTA4H (0.53) CETPLTA4HFFAR1PPARANPC1

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-2160427-A1 GRANULE COATED WITH URETHANE RESIN Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
WO-2009001477-A1 GRANULE COATED WITH URETHANE RESIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-31 WO disclosed