SCHEMBL3661795

SCHEMBL3661795

CCOC(=O)C(=O)C(C)C(=NO)c1ccc(OC)cc1.CCOC(=O)c1onc(-c2ccc(OC)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.39
PDCD4 Q53EL6 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 2/20 0.36
BACE1 P56817 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
PDE3A Q14432 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3662984 0.88 ALDH1A1 (0.42) MAPTL3MBTL1POLBGAAALDH1A1
SCHEMBL3656520 0.87 ALOX5 (0.38) HTTMAPTALDH1A1KDM4EMEN1
SCHEMBL2776545 0.82 TARBP2 (0.54) TARBP2PDCD4HTTMAPTNPC1
SCHEMBL2775303 0.82 USP2 (0.48) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL2775301 0.82 USP2 (0.48) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL2776676 0.72 KMT2A (0.44) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2776674 0.72 KMT2A (0.44) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2776072 0.71 KDM4E (0.52) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL28805031 0.70 PTGS2 (0.53) MAPTALDH1A1PTGS2PTGS1PDE3A
SCHEMBL2778006 0.70 KMT2A (0.42) HTTMAPTL3MBTL1ALDH1A1PTGS2

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-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed