SCHEMBL7071032

SCHEMBL7071032

CCOC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PPARG P37231 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
MAOB P27338 1/20 0.45
EPHX2 P34913 1/20 0.44
PTGS1 P23219 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GPR35 Q9HC97 1/20 0.42
HPGD P15428 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
SCHEMBL8390622 1.00 NPSR1 (0.55) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL7069133 1.00 NPSR1 (0.55) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL27706064 0.86 MEN1 (0.69) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL7067850 0.86 CYP1A1 (0.45) NPSR1CYP1A2PPARGCYP1A1CYP1B1
SCHEMBL16969110 0.85 NPSR1 (0.55) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL8956854 0.83 BACE1 (0.48) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL8956851 0.83 BACE1 (0.48) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL14705767 0.83 MAPT (0.55) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL30673552 0.81 MAPT (0.50) NPSR1MEN1KMT2AMAPTLMNA
SCHEMBL3306883 0.81 MEN1 (0.54) NPSR1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946492-B1 NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF BAYER CROPSCIENCE GMBH (DE) 2003-06-18 EP disclosed
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US disclosed
EP-0946492-A1 NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF Hoechst Schering AgrEvo GmbH (DE) 1999-10-06 EP disclosed
WO-1998027049-A1 NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF HOECHST SCHERING AGREVO GMBH (DE) 1998-06-25 WO disclosed