SCHEMBL3371697

SCHEMBL3371697

Bc1ccc(-c2oc3ccc(O)cc3c2C(=O)OCC)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.79
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
GAA P10253 2/20 0.78
ALDH1A1 P00352 5/20 0.60
HPGD P15428 5/20 0.60
HTT P42858 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GPR55 Q9Y2T6 1/20 0.60
KDM4E B2RXH2 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTGS2 P35354 2/20 0.57
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL1918033 0.88 ALOX5 (0.79) ALOX5MEN1KMT2AGAAALDH1A1
SCHEMBL245269 0.88 ALOX5 (0.79) ALOX5MEN1KMT2AGAAALDH1A1
SCHEMBL2297349 0.88 ALOX5 (1.00) ALOX5MEN1KMT2AGAAALDH1A1
SCHEMBL3537588 0.88 MEN1 (1.00) ALOX5MEN1KMT2AGAAALDH1A1
SCHEMBL14710206 0.87 ALOX5 (0.60) ALOX5MEN1KMT2AGAAALDH1A1
SCHEMBL31485746 0.87 MEN1 (1.00) ALOX5MEN1KMT2AGAAALDH1A1
SCHEMBL10903339 0.86 MEN1 (0.78) ALOX5MEN1KMT2AGAAALDH1A1
SCHEMBL6118915 0.85 ALOX5 (0.74) ALOX5MEN1KMT2AGAAALDH1A1
SCHEMBL3541369 0.84 ALOX5 (0.76) ALOX5MEN1KMT2AGAAALDH1A1
SCHEMBL3545779 0.82 MEN1 (0.73) ALOX5MEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003164-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-05 WO disclosed