SCHEMBL4939976

SCHEMBL4939976

CC(C=CC(=O)O)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 3/20 0.43
PPARA Q07869 2/20 0.43
MAPK14 Q16539 1/20 0.40
SCN9A Q15858 3/20 0.40
FPR2 P25090 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
SLC6A9 P48067 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAOB P27338 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL134523 1.00 MEN1 (0.43) MEN1KMT2APPARGPPARAMAPK14
SCHEMBL11051458 0.92 LPAR1 (0.46) MEN1KMT2APPARGPPARAMAPK14
SCHEMBL11551993 0.88 PPARG (0.42) MEN1KMT2APPARGPPARAMAPK14
SCHEMBL11552201 0.88 PPARG (0.40) MEN1KMT2APPARGPPARAMAPK14
SCHEMBL11282437 0.88 PPARG (0.40) MEN1KMT2APPARGPPARAMAPK14
SCHEMBL11286156 0.88 PPARG (0.42) MEN1KMT2APPARGPPARAMAPK14
SCHEMBL11288056 0.88 SCN9A (0.44) PPARGPPARASCN9AFPR2CYP1A1
SCHEMBL11279739 0.88 SCN9A (0.39) MEN1KMT2APPARGPPARASCN9A
SCHEMBL11551069 0.86 LMNA (0.42) PPARGPPARAMAPK14SCN9AFPR2
SCHEMBL11285316 0.86 MEN1 (0.45) MEN1KMT2APPARGPPARAMAPK14

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
EP-0330904-B1 Herbicidal agent in the form of aqueous microemulsions HOECHST AG (DE) 1994-04-20 EP claimed
JP-57009701-A None JP disclosed
JP-55066531-A None JP disclosed
US-20080058211-A1 Method and Composition for the Modulation of Toxin Resistance in Plant Cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-06 US disclosed
US-20060265779-A1 Genetic and epigenetic manipulation of ABC transporters and ecto-phosphatases for the conference of drug resistance and for the loss of drug resistance in biological systems and methods for the detection of ecto-phosphatase inhibitors NATIONAL SCIENCE FOUNDATION 2006-11-23 US disclosed
US-4948420-A Herbicidal aryloxy phenoxy acyl malonates BUDAPESTI VEGYIMUVEK (HU) 1990-08-14 US disclosed
US-4765825-A PARTICULARLY EFFECTIVE AS PREEMERGENCE HERBICIDES FOR GRASSES BUDAPESTI VEGYIMUVEK (HU) 1988-08-23 US disclosed
US-4360375-A Phenoxyphenoxy unsaturated derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1982-11-23 US disclosed
JP-S579701-A HERBICIDE CONTAINING OPTICALLY ACTIVE (+)-2-PENTENOIC ACID COMPOUND KUMIAI CHEM IND CO LTD 1982-01-19 JP disclosed
US-4267317-A CONCURRENT ETHERIFICATION AND DEHYDROGENATION OF A PHENOL BY REACTING WITH A 1-CARBOXY-3-HALOALKANE USING AN ALKALI METAL COMPOUND AND A SPECIAL SOLVENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-05-12 US disclosed
US-4263040-A Phenoxyphenoxy unsaturated derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1981-04-21 US disclosed
US-4254262-A IN THE PRESENCE OF A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-03-03 US disclosed
JP-S5566531-A PREPARATION OF PHENOXYALKENE DERIVATIVE IHARA CHEM IND CO LTD 1980-05-20 JP disclosed