SCHEMBL8901310

SCHEMBL8901310

CCC1(C(=O)O)C2CC(Cc3ccccc3Cl)C(C#N)(C(=O)CN)C21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.31
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8900909 0.93 RECQL (0.31)
SCHEMBL8891701 0.89 DPP4 (0.30)
SCHEMBL8894509 0.84 TSHR (0.30) GRM2
SCHEMBL8892210 0.84
SCHEMBL8901107 0.83 CTSC (0.32)
SCHEMBL8891969 0.82
SCHEMBL8764447 0.82
SCHEMBL8891411 0.80 MEN1 (0.32)
SCHEMBL8891106 0.79 MAOA (0.30)
SCHEMBL8892238 0.79 CCR8 (0.36)

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