SCHEMBL7828026

SCHEMBL7828026

O=Cc1c(O)ccc2c(C(=O)O)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.51
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
PADI4 Q9UM07 1/20 0.43
KDM4E B2RXH2 3/20 0.42
KDM4A O75164 2/20 0.42
EGLN1 Q9GZT9 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42
KDM6B O15054 1/20 0.42
KDM6A O15550 1/20 0.42
TET3 O43151 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TET2 Q6N021 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
TET1 Q8NFU7 1/20 0.42

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
SCHEMBL25255271 0.86 NR4A1 (0.50) NR4A1NR4A2NR4A3PADI4KDM4E
SCHEMBL7214394 0.81 ERN1 (0.54) ERN1KDM4ECA12ALDH1A1CA1
SCHEMBL29955463 0.80 ALDH1A1 (0.56) ERN1NR4A1NR4A2NR4A3KDM4E
SCHEMBL9353819 0.80 ERN1 (0.60) ERN1PADI4HPGD
SCHEMBL4985110 0.80 ALDH1A1 (0.56) ERN1NR4A1NR4A2NR4A3KDM4E
SCHEMBL28321998 0.79 ERN1 (0.61) ERN1PADI4
SCHEMBL31236213 0.79 ERN1 (0.61) ERN1PADI4
SCHEMBL3389447 0.78 NR4A1 (0.53) NR4A1NR4A2NR4A3KDM4EKDM4A
SCHEMBL30388521 0.78 NR4A1 (0.53) NR4A1NR4A2NR4A3KDM4EKDM4A
SCHEMBL11708631 0.77 THRB (0.45) ERN1NR4A1NR4A2NR4A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064289-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2001-01-03 EP disclosed
EP-1030853-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2000-08-30 EP disclosed
WO-1999047529-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-09-23 WO disclosed
WO-1999024442-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed