SCHEMBL6878693

SCHEMBL6878693

CC(CCCCC(=O)O)C(=O)OC(OC(=O)OC1CCCCC1)OC(=O)OC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
FFAR4 Q5NUL3 2/20 0.33
ACE P12821 2/20 0.33
REN P00797 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.33
EPHX1 P07099 2/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
ENPEP Q07075 1/20 0.31

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
SCHEMBL6878695 0.84 NAAA (0.40) NAAAFFAR4ACERENL3MBTL1
SCHEMBL7043476 0.80 NAAA (0.45) NAAAL3MBTL1EPHX1CYP19A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6880169 0.79 NAAA (0.44) NAAAL3MBTL1EPHX1CYP19A1ALDH1A1
SCHEMBL231985 0.75 NAAA (0.45) NAAAL3MBTL1EPHX1CYP19A1SMN1; SMN2
SCHEMBL18098083 0.71 CYP19A1 (0.42) NAAAL3MBTL1EPHX1CYP19A1SMN1; SMN2
SCHEMBL7218260 0.71 NAAA (0.55) NAAAL3MBTL1EPHX1CYP19A1ALDH1A1
SCHEMBL18098075 0.71 CYP19A1 (0.42) NAAAL3MBTL1EPHX1CYP19A1SMN1; SMN2
SCHEMBL7222848 0.70 NAAA (0.58) NAAAEPHX1CYP19A1ALDH1A1
SCHEMBL6295117 0.70 FFAR4 (0.48) FFAR4FFAR1ALDH1A1LMNAENPEP
SCHEMBL17910035 0.69 NAAA (0.43) NAAAL3MBTL1EPHX1ALDH1A1SMN1; SMN2

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-1463713-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2004-10-06 EP disclosed
WO-2003045898-A1 PRODRUGS OF EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-06-05 WO disclosed