SCHEMBL7515178

SCHEMBL7515178

COC(=O)C(=COCF)c1ccccc1OC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 2/20 0.36
PDE4B Q07343 1/20 0.36
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
HPGD P15428 2/20 0.36
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL8652220 0.89 MEN1 (0.35) TDP1PTPN1PDE4BKAT2BBAZ2B
SCHEMBL8073438 0.87 TP53 (0.38) TDP1PTPN1PDE4BKAT2BBAZ2B
SCHEMBL8954676 0.80 TDP1 (0.44) TDP1PTPN1PDE4BKAT2BBAZ2B
SCHEMBL8648327 0.80 PTPN1 (0.33) TDP1PTPN1PDE4BKAT2BBAZ2B
SCHEMBL7221126 0.80 TDP1 (0.37) TDP1PTPN1PDE4BKAT2BBAZ2B
SCHEMBL7513173 0.78 TDP1 (0.42) TDP1PTPN1PDE4BKAT2BBAZ2B
SCHEMBL6770014 0.76 TDP1 (0.41) TDP1PTPN1PDE4BKAT2BBAZ2B
SCHEMBL6766217 0.75 TDP1 (0.40) TDP1PTPN1PDE4BKAT2BBAZ2B
SCHEMBL8707829 0.74 PDE4B (0.43) TDP1PTPN1PDE4BKAT2BBAZ2B
SCHEMBL9535725 0.73 KDM4E (0.44) TDP1KAT2BBAZ2BHPGDSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863886-B1 FLUOROMETHOXYACRYLIC ACID DERIVATIVES AND THEIR USE AS PEST CONTROL AGENTS BAYER AG (DE) 2002-01-09 EP disclosed
US-6337401-B1 MULTISTAGE REACTION OF AROMATIC FORMIC ACID DERIVATIVE IN THE PRESENCE OF A BASIC CATALYST TO FORM ENOL AND REACTION WITH BROMOFLUOROMETHANE AND FLUOROCHLOROMETHANE BAYER AKTIENGESELLSCHAFT (DE) 2002-01-08 US disclosed
EP-1061066-A2 Fluoromethoxyacrylic acid derivatives, intermediates in the preparation of pest control agents BAYER AG (DE) 2000-12-20 EP disclosed
US-6031107-A Fluoromethoxyacrylic acid derivatives and their use as pest control agents BAYER AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0863886-A1 FLUOROMETHOXYACRYLIC ACID DERIVATIVES AND THEIR USE AS PEST CONTROL AGENTS BAYER AG (DE) 1998-09-16 EP disclosed
WO-1997014687-A1 FLUOROMETHOXYACRYLIC ACID DERIVATIVES AND THEIR USE AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-24 WO disclosed