SCHEMBL1069073

SCHEMBL1069073

CCOC(=O)/C(Br)=C(/C)Oc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
PLIN1 O60240 1/20 0.40
POLB P06746 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1069075 1.00 FAAH (0.40) FAAHKMT2AMAPTMEN1LMNA
SCHEMBL1069053 0.84 KMT2A (0.40) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL1069055 0.84 KMT2A (0.40) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL1063929 0.84 NLRP3 (0.40) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL1063931 0.84 NLRP3 (0.40) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL1068159 0.83 MAPT (0.38) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL1068157 0.83 MAPT (0.38) KMT2AMAPTMEN1LMNAPLIN1
SCHEMBL1787976 0.77 FAAH (0.47) FAAHMAPTLMNAPOLBCYP1A2
SCHEMBL1065377 0.72 KMT2A (0.41) FAAHKMT2AMAPTMEN1POLB
SCHEMBL1065376 0.72 KMT2A (0.41) FAAHKMT2AMAPTMEN1POLB

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-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed