SCHEMBL8449178

SCHEMBL8449178

CC(C)(C)OC(=O)N1CC[C@H](C(N)C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
GPR119 Q8TDV5 4/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
GAA P10253 1/20 0.43
NR1D1 P20393 2/20 0.42
HTR2A P28223 1/20 0.42
DPP4 P27487 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7463367 1.00 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGPR119DPP8
SCHEMBL8448791 0.85 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGPR119DPP8
SCHEMBL8449087 0.85 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGPR119DPP8
SCHEMBL1993903 0.80 ALDH1A1 (0.54) ALDH1A1MAPTLMNAGPR119NR1D1
SCHEMBL1993906 0.80 ALDH1A1 (0.54) ALDH1A1MAPTLMNAGPR119NR1D1
SCHEMBL7455301 0.79 DPP8 (0.40) ALDH1A1MAPTLMNADPP8DPP9
SCHEMBL8444893 0.79 DPP8 (0.40) ALDH1A1MAPTLMNADPP8DPP9
SCHEMBL5724167 0.79 ALDH1A1 (0.67) ALDH1A1MAPTLMNAGPR119HPGD
SCHEMBL7463372 0.78 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGPR119DPP8
SCHEMBL8449180 0.78 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGPR119DPP8

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-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed