SCHEMBL7518876

SCHEMBL7518876

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.52
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
FFAR1 O14842 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CETP P11597 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.37

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
SCHEMBL10851692 0.95 LTA4H (0.47) LTA4HNPC1RAB9APOLBCYP2C9
Etofenprox SCHEMBL27691 0.93 LTA4H (0.53) LTA4HNPC1RAB9APOLBCYP2C9
Etofenprox SCHEMBL29497314 0.93 LTA4H (0.53) LTA4HNPC1RAB9APOLBCYP2C9
Etofenprox SCHEMBL421768 0.93 LTA4H (0.53) LTA4HNPC1RAB9APOLBCYP2C9
Etofenprox SCHEMBL22325441 0.92 LTA4H (0.51) LTA4HNPC1RAB9APOLBCYP2C9
Etofenprox SCHEMBL20511478 0.91 LTA4H (0.50) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL10854685 0.89 LTA4H (0.42) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL9799362 0.89 LTA4H (0.42) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL10851891 0.89 ALDH1A1 (0.46) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL7524365 0.89 NPC1 (0.46) LTA4HNPC1RAB9APOLBCYP2C9

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 3 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 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