SCHEMBL8891587

SCHEMBL8891587

CCOC(=O)C1C2CC(Cc3ccc(Cl)cc3)C(C#N)(C(=O)CN)C21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
HSD11B1 P28845 1/20 0.34
KCNH2 Q12809 1/20 0.33
ABCC1 P33527 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL8892415 0.90 PPARG (0.34) MEN1KMT2AALDH1A1MAPTGRM2
SCHEMBL8764066 0.89 GRM2 (0.49) MEN1KMT2AALDH1A1TSHRGRM2
SCHEMBL8763799 0.89 GRM2 (0.49) MEN1KMT2AALDH1A1TSHRGRM2
SCHEMBL8764436 0.87 GRM2 (0.38) ALDH1A1MAPTTSHRGRM2GRM3
SCHEMBL8474292 0.85 MAPK8 (0.33) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL8892582 0.64 DPP4 (0.32) MEN1KMT2AALDH1A1HSD11B1LMNA
SCHEMBL20730984 0.63 GRM2 (0.42) MEN1KMT2AALDH1A1MAPTGRM2
SCHEMBL20731925 0.63 GRM2 (0.42) MEN1KMT2AALDH1A1MAPTGRM2
SCHEMBL20731962 0.63 GRM2 (0.42) MEN1KMT2AALDH1A1MAPTGRM2
SCHEMBL19508460 0.63 GRM2 (0.42) MEN1KMT2AALDH1A1MAPTGRM2

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
WO-1997017950-A1 SHOULDER PROSTHESIS ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed