SCHEMBL7523252

SCHEMBL7523252

CC(C)(COCc1cccc(Oc2ccc(O)cc2)c1)c1ccc(OC(F)(F)Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
CETP P11597 3/20 0.41
MAPK14 Q16539 2/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 1/20 0.37
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
LTA4H P09960 1/20 0.36
BAX Q07812 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
FDFT1 P37268 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
Halfenprox SCHEMBL29795788 0.93 NPC1 (0.43) NPC1POLBCYP2C9RAB9ACETP
Halfenprox SCHEMBL62803 0.93 NPC1 (0.43) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL7524365 0.88 NPC1 (0.46) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL10854916 0.87 NPC1 (0.43) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL7524963 0.86 FFAR1 (0.49) NPC1POLBCYP2C9RAB9AMAPK14
SCHEMBL8064118 0.86 TACR1 (0.42) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL8675859 0.86 MAPK14 (0.49) NPC1POLBCYP2C9RAB9ACETP
Halfenprox SCHEMBL28278482 0.85 NPC1 (0.37) NPC1POLBCYP2C9RAB9ACETP
SCHEMBL7518876 0.85 LTA4H (0.52) NPC1POLBCYP2C9RAB9ACETP
Halfenprox SCHEMBL19643386 0.84 NPC1 (0.36) NPC1POLBCYP2C9RAB9ACETP

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