SCHEMBL7070797

SCHEMBL7070797

CCOC(=O)C(F)=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
MAPT P10636 8/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
DHODH Q02127 2/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL7070799 1.00 MEN1 (0.59) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL11309469 0.91 MEN1 (0.72) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL11309467 0.91 MEN1 (0.72) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL10697747 0.91 MEN1 (0.72) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL141618 0.85 MEN1 (0.56) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL8577895 0.84 MEN1 (0.84) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4213905 0.83 DHODH (0.52) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4213907 0.83 DHODH (0.52) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6273413 0.83 MAPT (0.47) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6869993 0.83 MAPT (0.47) MEN1KMT2AMAPTLMNANPSR1

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 3 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
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US disclosed