SCHEMBL10344713

SCHEMBL10344713

CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.55
PPARD Q03181 2/20 0.48
PPARA Q07869 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44
GAA P10253 1/20 0.44
PPARG P37231 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL11260317 0.97 FFAR1 (0.53) FFAR1PPARDPPARAL3MBTL1TDP1
SCHEMBL10646337 0.92 FFAR1 (0.49) FFAR1PPARDPPARATDP1MEN1
SCHEMBL10643426 0.92 FFAR1 (0.49) FFAR1PPARDPPARATDP1MEN1
SCHEMBL10963334 0.90 FFAR1 (0.58) FFAR1PPARDPPARAL3MBTL1TDP1
SCHEMBL9504832 0.87 MEN1 (0.51) FFAR1PPARDPPARATDP1MEN1
SCHEMBL10643331 0.87 FFAR1 (0.50) FFAR1PPARDPPARAL3MBTL1TDP1
SCHEMBL10644002 0.87 FFAR1 (0.50) FFAR1PPARDPPARAL3MBTL1TDP1
SCHEMBL9828634 0.86 FFAR1 (0.46) FFAR1PPARDPPARATDP1MEN1
SCHEMBL9507509 0.86 FFAR1 (0.46) FFAR1PPARDPPARATDP1MEN1
SCHEMBL9572400 0.86 FFAR1 (0.46) FFAR1PPARDPPARATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
US-4726837-A Use of 4H-pyrido[2,3-d][1,3]oxazin-4-one derivatives for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1988-02-23 US disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP disclosed
EP-0170203-A2 4H-Pyrido(2,3-d)(1,3)oxazin-4-one derivatives, process for their preparation, and their use for combating undesired vegetation BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed