SCHEMBL8009839

SCHEMBL8009839

CCCC(CC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CPA1 P15085 6/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 1/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 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
SCHEMBL10436410 0.85 CPA1 (0.57) ANPEPERAP2ERAP1CPA1MEN1
SCHEMBL28807880 0.83 ALDH1A1 (0.49) ANPEPERAP2ERAP1GAAPOLB
SCHEMBL9003958 0.81 SLC1A3 (0.65) ANPEPERAP2ERAP1CPA1GRIK1
SCHEMBL9003970 0.81 SLC1A3 (0.65) ANPEPERAP2ERAP1CPA1GRIK1
SCHEMBL7141466 0.80 CYP1A2 (0.67) ANPEPERAP2ERAP1CPA1MEN1
SCHEMBL11123380 0.79 CPA1 (0.62) ANPEPERAP2ERAP1CPA1MEN1
SCHEMBL8996600 0.78 CRHBP (0.49) GAAPOLBMAPTL3MBTL1
SCHEMBL1204796 0.78 L3MBTL1 (0.50) GAAPOLBMAPTL3MBTL1CPA1
SCHEMBL6455028 0.77 TSHR (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28756030 0.77 MEN1 (0.46) MAPTMEN1KMT2ASMN1; SMN2NPC1

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
US-6051210-A BIOLOGICALLY INJECTING BRACCO RESEARCH USA (US) 2000-04-18 US disclosed