SCHEMBL8892582

SCHEMBL8892582

CCC1(C(=O)O)C2CC(Cc3ccc(OC)cc3)C(C#N)(C(=O)CN)C21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.32
FAP Q12884 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
LDHA P00338 1/20 0.30
HPGD P15428 1/20 0.30
CYP2D6 P10635 2/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8891411 0.88 MEN1 (0.32) DPP4DPP7MEN1KMT2A
SCHEMBL8892810 0.82 GRM2 (0.33)
SCHEMBL8762565 0.75 DPP4 (0.34) DPP4FAPDPP8DPP9DPP7
SCHEMBL8892416 0.66 POLB (0.39) HSD11B1ALDH1A1LDHAHPGDCYP2D6
SCHEMBL28813861 0.60 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDLMNAMEN1
SCHEMBL8763480 0.60 GRM2 (0.61) HSD11B1ALDH1A1HPGDCYP2D6LMNA
SCHEMBL5522775 0.59 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL3740867 0.58 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8763790 0.58 HSD11B1 (0.40) HSD11B1ALDH1A1LDHAHPGDMEN1
SCHEMBL15061180 0.57 CA1 (0.67) LDHAKMT2A

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