SCHEMBL22175141

SCHEMBL22175141

CC[C@H](C)[C@H](NC)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CA2 P00918 3/20 0.36
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL31512927 0.84 PSENEN (0.47) CTSSCTSKPSENENALDH1A1CA2
SCHEMBL23901566 0.84 CTSS (0.46) CTSSCTSKPSENENALDH1A1CA2
SCHEMBL25453643 0.84 CTSK (0.46) CTSSCTSKPSENENALDH1A1CA2
SCHEMBL8893788 0.82 CTSS (0.40) CTSSCTSKPSENENALDH1A1CA2
SCHEMBL15312479 0.81 CTSK (0.47) CTSSCTSKPSENENALDH1A1CA2
SCHEMBL21816825 0.80 POLB (0.44) ALDH1A1NOS1NOS3NOS2POLB
SCHEMBL22787789 0.80 CTSK (0.40) CTSSCTSKCA2CA1CA7
SCHEMBL13600527 0.80 POLB (0.44) ALDH1A1NOS1NOS3NOS2POLB
SCHEMBL7973604 0.80 CTSK (0.40) CTSSCTSKCA2CA1CA7
SCHEMBL7973606 0.80 CTSK (0.40) CTSSCTSKCA2CA1CA7

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-3078656-B1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN INC (US) 2020-07-01 EP disclosed