SCHEMBL21153162

SCHEMBL21153162

CN[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.45
ALDH1A1 P00352 2/20 0.43
MMP8 P22894 3/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
KISS1R Q969F8 4/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL22475309 0.89 ALDH1A1 (0.46) MMEALDH1A1MMP8MMP2MMP9
SCHEMBL17948521 0.89 ALDH1A1 (0.46) MMEALDH1A1MMP8MMP2MMP9
SCHEMBL16168233 0.81 MME (0.44) MMEALDH1A1MMP8MMP2MMP9
SCHEMBL12214818 0.80 ALDH1A1 (0.50) ALDH1A1MMP8MMP2MMP9KISS1R
SCHEMBL13238863 0.80 ALDH1A1 (0.50) ALDH1A1MMP8MMP2MMP9KISS1R
SCHEMBL10036220 0.80 ALDH1A1 (0.50) ALDH1A1MMP8MMP2MMP9KISS1R
SCHEMBL18568836 0.80 MME (0.36) MMEMMP8MMP3
SCHEMBL26857870 0.79 MMP3 (0.45) ALDH1A1MMP9KISS1RMMP1MMP3
SCHEMBL26774818 0.79 MMP3 (0.46) ALDH1A1MMP8MMP9KISS1RMMP1
SCHEMBL15851259 0.79 ALDH1A1 (0.50) MMEALDH1A1MMP8MMP2MMP9

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-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed