SCHEMBL476880

SCHEMBL476880

Cc1c(Cl)cccc1N(C=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
PTGER1 P34995 1/20 0.30

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
SCHEMBL2091660 0.73 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL3712017 0.73 JAK2 (0.34)
SCHEMBL2831679 0.72 CHEK1 (0.31) ALDH1A1TDP1
SCHEMBL1534432 0.70 ENPP2 (0.34)
SCHEMBL6856498 0.69 LMNA (0.40) ALDH1A1LMNAPOLBTDP1TSHR
SCHEMBL20195486 0.68 ALDH1A1 (0.40) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL10382826 0.67 MEN1 (0.35) ALDH1A1MEN1KMT2ATDP1NPSR1
SCHEMBL421017 0.67 MTNR1B (0.39) ALDH1A1LMNATDP1NPSR1TSHR
SCHEMBL7429745 0.67 NFE2L2 (0.36)
SCHEMBL852215 0.67 CCR1 (0.34) ALDH1A1MEN1KMT2ANPSR1TSHR

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-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO disclosed