SCHEMBL8764367

SCHEMBL8764367

CCC12C(=O)C(Cc3ccc(C)cc3)CC1C2C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
OPRM1 P35372 1/20 0.33
LMNA P02545 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32

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
SCHEMBL8764380 0.89 TSHR (0.41) HSD11B1MEN1KMT2AS1PR5
SCHEMBL8764701 0.89 HSD11B1 (0.37) HSD11B1MEN1KMT2AOPRM1GRM2
SCHEMBL8762671 0.87 MAOA (0.36) LMNA
SCHEMBL8763747 0.86 PTGS1 (0.39) MEN1KMT2A
SCHEMBL8762760 0.85 ALDH1A1 (0.42) GRM2GRM3
SCHEMBL8763796 0.83 GRM2 (0.35) GRM2GRM3
SCHEMBL8763834 0.81
SCHEMBL8762717 0.80 GRM2 (0.44) KMT2AGRM2GRM3
SCHEMBL8763892 0.80 HSD11B1 (0.39) L3MBTL1HSD11B1GRM2GRM3
SCHEMBL8892101 0.79

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-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed