SCHEMBL14865010

SCHEMBL14865010

COC(=O)c1c(CC(=O)O)[nH]c2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.55
SIRT1 Q96EB6 5/20 0.50
NR4A2 P43354 2/20 0.49
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL14865005 0.85 ALOX5 (0.56) ALOX5SIRT1KDM4EALDH1A1HPGD
SCHEMBL5234954 0.79 NR4A2 (0.63) ALOX5NR4A2KDM4EALDH1A1HPGD
SCHEMBL28025008 0.75 ALOX5 (0.56) ALOX5NR4A2KDM4EALDH1A1HPGD
SCHEMBL3253095 0.73 KDM4E (0.56) ALOX5NR4A2KDM4EALDH1A1HPGD
SCHEMBL16401274 0.73 NR4A2 (0.55) ALOX5NR4A2KDM4EALDH1A1HPGD
SCHEMBL6313673 0.73 GSK3B (0.56) ALOX5NR4A2KDM4EALDH1A1MEN1
SCHEMBL31312633 0.73 ALOX5 (0.57) ALOX5NR4A2
SCHEMBL28024554 0.73 ALOX5 (0.54) ALOX5NR4A2KDM4EALDH1A1HPGD
SCHEMBL9094140 0.72 GAA (0.58) ALOX5KDM4EALDH1A1HPGDMEN1
SCHEMBL7358358 0.72 SIRT1 (0.49) ALOX5SIRT1ALDH1A1HPGD

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
EP-2581451-A1 Compounds for inhibiting mammalian s-nitrosoglutathione reductase Indiana University Research and Technology Corporation (US) 2013-04-17 EP disclosed