SCHEMBL8530205

SCHEMBL8530205

NC1(C(=O)OCc2ccccc2)CCC2C(C(=O)OCc3ccccc3)C21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 3/20 0.45
FABP5 Q01469 3/20 0.45
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
TSHR P16473 2/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5840626 0.81 GRM8 (0.44) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5840618 0.80 TDP1 (0.43) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL8358694 0.80 SLC1A2 (0.40) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5840782 0.79 GRM2 (0.45) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5840517 0.79 GRM2 (0.49) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL15144264 0.79 FABP7 (0.44) FABP7FABP5DDB1CRBNTSHR
SCHEMBL5841867 0.77 GRM2 (0.50) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL6466259 0.77 GRM2 (0.50) GRM8GRM6GRM2GRM3SLC1A2
Hydrochloric Acid SCHEMBL5841578 0.76 GRM2 (0.47) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5840776 0.76 SLC1A2 (0.48) GRM8GRM6GRM2GRM3SLC1A2

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