SCHEMBL8466623

SCHEMBL8466623

Cc1nn(C)c(OCC(=O)c2ccccc2)c1C(=O)c1ccc(Cl)c(C)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.45
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
NR3C1 P04150 1/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL9142685 0.92 ABCB1 (0.37) ABCB1LMNAMAPTKDM4EALDH1A1
SCHEMBL55547 0.92 ABCB1 (0.37) ABCB1LMNAMAPTKDM4EALDH1A1
SCHEMBL27505540 0.91 ABCB1 (0.36) ABCB1LMNAMAPTKDM4EALDH1A1
SCHEMBL9291996 0.90 ENPP3 (0.41) ABCB1LMNAMAPTKDM4EALDH1A1
SCHEMBL11134794 0.90 CA12 (0.36) ABCB1LMNAMAPTKDM4EALDH1A1
SCHEMBL22946204 0.89 ABCB1 (0.43) ABCB1LMNAMAPTKDM4EALDH1A1
SCHEMBL9291991 0.89 ENPP3 (0.40) ABCB1LMNAMAPTKDM4EALDH1A1
SCHEMBL9408361 0.88 ABCB1 (0.46) ABCB1LMNAMAPTKDM4EALDH1A1
Acetamide SCHEMBL368024 0.88 ALDH1A1 (0.35) ABCB1LMNAMAPTKDM4EALDH1A1
SCHEMBL4889275 0.85 ABCB1 (0.45) ABCB1LMNAMAPTKDM4EALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4406688-A Herbicidal 4-benzoyl-5-phenacyloxy-pyrazole derivatives, composition and method MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1983-09-27 US claimed
JP-57072903-A None JP disclosed
JP-62089604-A None JP disclosed
JP-61148104-A None JP disclosed
EP-0714602-B1 Sulphonylaminophenyluracil herbicides for paddy field BAYER AGROCHEM KK (JP) 1999-05-12 EP disclosed
US-5641725-A Sulphonylaminophenyluracil herbicides for paddy field NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US disclosed
EP-0714602-A1 Sulphonylaminophenyluracil herbicides for paddy field NIHON BAYER AGROCHEM K.K. (JP) 1996-06-05 EP disclosed
US-5207819-A Herbicides AGRO-KANESHO CO., LTD (JP) 1993-05-04 US disclosed
EP-0288275-B1 PHENOXYPROPIONIC ACID DERIVATIVES FOR USE AS HERBICIDES Tosoh Corporation (JP) 1993-01-27 EP disclosed
US-4948421-A INHIBITS WEEDS BELONGING TO FAMILY GRAMINEAE TOSOH CORPORATION (JP) 1990-08-14 US disclosed
EP-0288275-A2 Phenoxypropionic acid derivatives for use as herbicides Tosoh Corporation (JP) 1988-10-26 EP disclosed
US-4746359-A Hydroxyacetic acid amide derivatives, and herbicidal compositions containing them TOYO SODA MANUFACTURING CO., LTD. (JP) 1988-05-24 US disclosed
JP-S6289604-A PYRAZOLE HERBICIDE MITSUBISHI PETROCHEM CO LTD 1987-04-24 JP disclosed
US-4620868-A N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-3[halo-substituted ethenyl (or propenyl)]-2-thiophenesulfonamides useful as herbicides ISHIHARA SANGYO KAISHA, LTD. (JP) 1986-11-04 US disclosed
US-4608081-A SELECTIVITY AGAINST GRASSES KANESHO COMPANY LIMITED (JP) 1986-08-26 US disclosed
US-4600432-A CYANOPHENOXYPHENOXY COMPOUNDS AGRO-KANESHO CO., LTD. (JP) 1986-07-15 US disclosed
JP-S61148104-A COMPOSITE HERBICIDE FOR PADDY FIELD TOKUYAMA SODA CO LTD 1986-07-05 JP disclosed
US-4406688-A Herbicidal 4-benzoyl-5-phenacyloxy-pyrazole derivatives, composition and method MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1983-09-27 US disclosed
JP-S5772903-A PYRAZOLE HERBICIDE MITSUBISHI PETROCHEM CO LTD 1982-05-07 JP disclosed
JP-S05772903-A 0001-01-01 JP disclosed