SCHEMBL7520243

SCHEMBL7520243

CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccc(OCC(=O)O)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.52
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
PPARD Q03181 2/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
PLA2G4B P0C869 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL7521762 0.95 FFAR1 (0.58) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL27691 0.90 LTA4H (0.53) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL29497314 0.90 LTA4H (0.53) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL421768 0.90 LTA4H (0.53) FFAR1NPC1POLBCYP2C9RAB9A
SCHEMBL10851692 0.90 LTA4H (0.47) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL22325441 0.89 LTA4H (0.51) FFAR1NPC1POLBCYP2C9RAB9A
SCHEMBL7524963 0.89 FFAR1 (0.49) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL22444420 0.88 RAB9A (0.58) FFAR1NPC1POLBCYP2C9RAB9A
Etofenprox SCHEMBL20511478 0.88 LTA4H (0.50) FFAR1NPC1POLBCYP2C9RAB9A
SCHEMBL7518876 0.88 LTA4H (0.52) FFAR1NPC1POLBCYP2C9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645628-B1 Immunological detection method of pyrethroid compound, haptenic compound, intermediate for the haptenic compound, immunogen and antibody MITSUI CHEMICALS INC (JP) 2002-03-06 EP claimed
EP-0645628-A1 Immunological detection method of pyrethroid compound, haptenic compound, intermediate for the haptenic compound, immunogen and antibody MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-03-29 EP claimed
EP-0645628-B1 Immunological detection method of pyrethroid compound, haptenic compound, intermediate for the haptenic compound, immunogen and antibody MITSUI CHEMICALS INC (JP) 2002-03-06 EP disclosed
US-5608104-A QUICK ANALYSIS OF PYRETHROID COMPOUNDS WITH ANTIBODIES MITSUI TOATSU CHEMICALS, INC. (JP) 1997-03-04 US disclosed
EP-0645628-A1 Immunological detection method of pyrethroid compound, haptenic compound, intermediate for the haptenic compound, immunogen and antibody MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-03-29 EP disclosed