SCHEMBL7564089

SCHEMBL7564089

CC(=O)C(=O)Oc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL18328833 0.88 MAPK1 (0.46) GPR35MAPK1ALDH1A1TP53HPGD
SCHEMBL377595 0.87 MAPK1 (0.51) GPR35MAPK1ALDH1A1TP53HPGD
SCHEMBL27462573 0.83 MAPT (0.55) MAPK1ALDH1A1HPGDMAPTLMNA
SCHEMBL27443001 0.82 MAPT (0.53) MAPK1ALDH1A1HPGDMAPTLMNA
SCHEMBL29269278 0.81 MAPK1 (0.54) GPR35MAPK1ALDH1A1TP53HPGD
SCHEMBL2057240 0.80 SMN1; SMN2 (0.47) GPR35MAPK1ALDH1A1TP53HPGD
SCHEMBL182941 0.78 MAPK1 (0.56) GPR35MAPK1ALDH1A1TP53HPGD
SCHEMBL1581489 0.78 GPR35 (0.60) GPR35MAPK1ALDH1A1TP53HPGD
SCHEMBL5421764 0.78 CYP3A4 (0.44) MAPK1ALDH1A1HPGDL3MBTL1CA12
SCHEMBL27556436 0.78 BCL9 (0.62) GPR35MAPK1ALDH1A1TP53HPGD

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-2002031189-A2 MODEL SYSTEM FOR THE VIVO STUDY OF APOPTOSIS EIRX THERAPEUTIC LIMITED (IE) 2002-04-18 WO disclosed