SCHEMBL9237158

SCHEMBL9237158

CC(C)(C)CC(C)(C)c1ccc(OC(CC(=O)O)C(N)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
SHBG P04278 1/20 0.40
MDH1 P40925 10/20 0.39
MDH2 P40926 10/20 0.39
CASP1 P29466 1/20 0.35
SLC1A2 P43004 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
KIF11 P52732 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
SCHEMBL9237163 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL9238802 0.81 PPARG (0.50) SLC1A2KIF11
SCHEMBL9238806 0.81 PPARG (0.50) SLC1A2KIF11
SCHEMBL9236830 0.79 PPARG (0.43) SLC1A2KIF11
SCHEMBL9241984 0.79 PPARG (0.47) SLC1A2KIF11
SCHEMBL9236828 0.79 PPARG (0.43) SLC1A2KIF11
SCHEMBL9241636 0.77 KMT2A (0.44) SMN1; SMN2SLC1A2
SCHEMBL9241640 0.77 KMT2A (0.44) SMN1; SMN2SLC1A2
SCHEMBL9238607 0.77 KMT2A (0.47) SMN1; SMN2
SCHEMBL9238609 0.77 KMT2A (0.47) SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP disclosed