SCHEMBL8082689

SCHEMBL8082689

CCCC(O)C(Oc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 3/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4653937 1.00 GAA (0.46) GAAHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL8082686 1.00 GAA (0.46) GAAHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL7508888 0.78 ALDH1A1 (0.51) GAAHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL6256322 0.78 GAA (0.52) GAAHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL4747181 0.77 BCL9 (0.50) GAAL3MBTL1ALDH1A1KMT2AHTT
SCHEMBL667900 0.77 BCL9 (0.50) GAAL3MBTL1ALDH1A1KMT2AHTT
SCHEMBL1340159 0.76 ALDH1A1 (0.53) GAAHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL6473296 0.76 GAA (0.55) GAAHPGDL3MBTL1ALDH1A1KMT2A
SCHEMBL28193963 0.76 ALDH1A1 (0.46) HPGDL3MBTL1ALDH1A1KMT2AHTT
SCHEMBL4825004 0.75 L3MBTL1 (0.58) GAAHPGDL3MBTL1ALDH1A1KMT2A

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-1036190-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES ChiroBio Inc. (KR) 2000-09-20 EP claimed
WO-1999029889-A1 A METHOD FOR PRODUCING HYDROXYCARBOXYLIC ACIDS BY AUTO-DEGRADATION OF POLYHYDROXYALKANOATES LG CHEMICAL LTD. (KR) 1999-06-17 WO claimed