SCHEMBL3722808

SCHEMBL3722808

O=C(NCc1ccc2c(c1)OCO2)c1cccc(O)c1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
LMNA P02545 1/20 0.85
MAPK1 P28482 1/20 0.85
MMP13 P45452 1/20 0.85
HPGD P15428 3/20 0.76
TSHR P16473 2/20 0.76
POLB P06746 1/20 0.71
ALDH1A1 P00352 2/20 0.70
AURKA O14965 1/20 0.68
HSD17B10 Q99714 2/20 0.67
NPC1 O15118 1/20 0.66
HSP90AA1 P07900 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALDH2 P05091 1/20 0.64
TP53 P04637 1/20 0.63
CRHBP P24387 1/20 0.63
RECQL P46063 1/20 0.63
CRHR2 Q13324 1/20 0.63

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
SCHEMBL5335238 0.92 MEN1 (1.00) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL5335082 0.87 MEN1 (0.90) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL5334358 0.87 MEN1 (0.90) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL4925396 0.87 MEN1 (0.84) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL108263 0.86 ALDH1A1 (0.92) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL5341210 0.82 KMT2A (0.80) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL5338191 0.82 MEN1 (0.80) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL2261349 0.81 MEN1 (0.64) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL5332989 0.81 HPGD (0.83) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL9416647 0.80 ROCK2 (0.65) MEN1KMT2ALMNAMAPK1MMP13

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-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed