SCHEMBL9799829

SCHEMBL9799829

O=C(OCC(F)(F)F)c1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
JMJD6 Q6NYC1 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 2/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
FABP7 O15540 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SLC6A3 Q01959 3/20 0.37
HTR1A P08908 1/20 0.36

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
SCHEMBL1496824 0.86 MAPK1 (0.55) MAPK1HIF1AJMJD6TDP1NPC1
SCHEMBL1434120 0.81 MAPK1 (0.71) MAPK1HIF1AJMJD6TDP1NPC1
SCHEMBL21268277 0.80 MAPK1 (0.46) MAPK1HIF1AJMJD6TDP1NPC1
SCHEMBL9244575 0.79 ADRB2 (0.49) MAPK1HIF1AJMJD6NPC1MAPT
SCHEMBL7945129 0.79 ESR1 (0.58) MAPK1HIF1ATDP1NPC1MAPT
SCHEMBL11731976 0.78 TDP1 (0.52) MAPK1HIF1ATDP1NPC1MAPT
SCHEMBL9247387 0.78 GAA (0.49) MAPK1HIF1AJMJD6NPC1GAA
SCHEMBL5791194 0.78 L3MBTL1 (0.51) MAPK1HIF1AJMJD6MAPTRAB9A
SCHEMBL1996803 0.76 MAPT (0.58) MAPK1HIF1AJMJD6TDP1NPC1
SCHEMBL24628483 0.75 LMNA (0.58) MAPK1HIF1ATDP1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102993054-B Benzamide derivative and preparation method and application thereof SINOCHEM LANTIAN CO LTD 2015-02-18 CN disclosed
CN-102993054-A Benzamide derivative and preparation method and application thereof SINOCHEM LANTIAN CO LTD 2013-03-27 CN disclosed
CN-1050878-A Novel silane derivs contains the preparation of this derivative and as the application of agricultural chemicals HOECHST AG (DE) 1991-04-24 CN disclosed
US-4990621-A Insecticides, miticides and nematocides; 3-(3-fluoro-4-phenoxyphenyl, 3-(5-fluoro-3-phenoxypyrid-2-yl) or 3-(3-methyl-4-phenyl prop-1-ene HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0224024-B1 SILANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed
US-4864027-A INSECTICIDES, NEMATOCIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
EP-0224024-A1 Silane derivatives, process for their preparation, agents containing them and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 EP disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed
US-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed
US-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 US disclosed