SCHEMBL4986942

SCHEMBL4986942

CC(C)C(C(=O)OCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
MMP1 P03956 2/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTGES O14684 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
ADRA2A P08913 1/20 0.42
CNR1 P21554 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 1/20 0.41
CETP P11597 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 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
SCHEMBL11159854 0.93 PTGS1 (0.49) FFAR1PPARGPPARAMRGPRX4MMP1
SCHEMBL11192400 0.89 PTGS1 (0.52) FFAR1MMP1MMP2MMP9MMP12
SCHEMBL27354103 0.89 LMNA (0.46) PPARGPPARAMRGPRX4LMNAL3MBTL1
SCHEMBL11315674 0.88 FFAR1 (0.41) FFAR1PPARGPPARAMRGPRX4MMP1
SCHEMBL9558462 0.88 ALDH1A1 (0.52) FFAR1MMP1MMP2MMP9MMP12
SCHEMBL11444616 0.88 FFAR1 (0.47) FFAR1MMP1MMP2MMP9MMP12
SCHEMBL11444839 0.87 FFAR1 (0.41) FFAR1PPARGPPARAMMP1MMP2
SCHEMBL11444569 0.87 FFAR1 (0.41) FFAR1MMP1MMP2MMP9MMP12
SCHEMBL11444772 0.86 CETP (0.48) FFAR1MMP1MMP2MMP9MMP12
SCHEMBL11445496 0.86 MAPK14 (0.49) FFAR1MRGPRX4MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4199595-A M-phenoxybenzyl and α-cyano-M-phenoxybenzyl esters of 2-haloalkyl (oxy-, thio-, sulfinyl-, or sulfonyl)phenylalkanoic acids AMERICAN CYANAMID COMPANY (US) 1980-04-22 US claimed
US-20080004178-A1 Method of Controlling the Release of Agricultural Active Ingredients from Treated Plant Seeds DING YIWEI 2008-01-03 US disclosed
EP-0257415-B1 INSECTICIDAL RESIN COATING FILM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
US-4997650-A (Meth)acrylonitrile polymer MITSUI TOATSU CHEMICALS, INC. (JP) 1991-03-05 US disclosed
EP-0302880-A4 FUNGICIDAL TRIAZOLES AND IMIDAZOLES. DU PONT (US) 1990-05-14 EP disclosed
US-4818525-A LONG-LASTING; ACRYLONITRILE COPOLYMER MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-04 US disclosed
EP-0302880-A1 FUNGICIDAL TRIAZOLES AND IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-15 EP disclosed
EP-0257415-A1 Insecticidal resin coating film MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-02 EP disclosed
WO-1987006430-A1 FUNGICIDAL TRIAZOLES AND IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-05 WO disclosed
US-4405639-A INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES; PARACITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
US-4348323-A FLUORINE-CONTAINING BENZODIOXINE INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4284643-A Combating arthropods with novel fluorine-containing phenylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-4199595-A M-phenoxybenzyl and α-cyano-M-phenoxybenzyl esters of 2-haloalkyl (oxy-, thio-, sulfinyl-, or sulfonyl)phenylalkanoic acids AMERICAN CYANAMID COMPANY (US) 1980-04-22 US disclosed