SCHEMBL8533271

SCHEMBL8533271

CCCCCCOC(=O)C1C2CCC(N)(C(=O)OCCCCCC)C21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
PPARG P37231 3/20 0.39
NAAA Q02083 1/20 0.36
CES2 O00748 1/20 0.36
PRKCA P17252 2/20 0.35
EPHX1 P07099 1/20 0.35
TSHR P16473 2/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL8530212 0.95 SLC1A2 (0.42) SLC1A2SLC1A1GRM8GRM6GRM2
SCHEMBL8532802 0.89 SLC1A2 (0.44) SLC1A2SLC1A1GRM8GRM6GRM2
SCHEMBL5690924 0.81 SLC1A2 (0.46) SLC1A2SLC1A1GRM8GRM6GRM2
SCHEMBL8354778 0.77 SLC1A2 (0.43) SLC1A2SLC1A1GRM8GRM6GRM2
SCHEMBL27719810 0.73 EPHX2 (0.40) PPARGNAAACES2PRKCAEPHX1
SCHEMBL27719812 0.73 EPHX2 (0.40) PPARGNAAACES2PRKCAEPHX1
SCHEMBL8354226 0.73 SLC1A2 (0.44) SLC1A2SLC1A1GRM8GRM6GRM2
SCHEMBL827702 0.72 NAAA (0.59) PPARGNAAAEPHX1TSHR
SCHEMBL17812506 0.70 NAAA (0.53) NAAACES2EPHX1TSHR
SCHEMBL16086396 0.70 NAAA (0.53) NAAACES2EPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696577-B1 Synthetic excitatory amino acids LILLY CO ELI (US) 1998-10-14 EP disclosed
WO-1996005175-A1 SYNTHETIC EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 1996-02-22 WO disclosed
EP-0696577-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY (US) 1996-02-14 EP disclosed