SCHEMBL7071555

SCHEMBL7071555

CCOC(=O)C(F)=Cc1ccc(Br)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
S1PR4 O95977 1/20 0.54
S1PR1 P21453 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTP4A1 Q93096 2/20 0.46
BACE1 P56817 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 6/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSP90AA1 P07900 2/20 0.40
KDM4E B2RXH2 3/20 0.40

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
SCHEMBL7071553 1.00 MAPT (0.54) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL14705767 0.81 MAPT (0.55) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL3306876 0.80 MEN1 (0.54) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL3306883 0.80 MEN1 (0.54) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL3306881 0.80 MEN1 (0.54) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL10697747 0.80 MEN1 (0.72) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL11309469 0.80 MEN1 (0.72) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL11309467 0.80 MEN1 (0.72) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL7071164 0.79 MAPT (0.47) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL7071167 0.79 MAPT (0.47) MAPTMEN1KMT2ALMNANPSR1

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 2 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 claimed
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US claimed