SCHEMBL21095360

SCHEMBL21095360

CC(C)(OC(=O)CC[C@H](N)C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.53
LTA4H P09960 2/20 0.43

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
SCHEMBL21095470 0.85 KIF11 (0.55) KIF11
Toluene SCHEMBL28694057 0.81 KIF11 (0.51) KIF11LTA4H
SCHEMBL418929 0.81 CYP2C19 (0.47) KIF11
SCHEMBL7156296 0.78 CYP2C19 (0.44) KIF11
SCHEMBL27558556 0.78 CYP2C19 (0.47) KIF11
SCHEMBL18506508 0.78 CYP2C19 (0.47) KIF11
SCHEMBL1411236 0.77 SLC1A1 (0.52)
SCHEMBL172526 0.77 SLC1A1 (0.52)
SCHEMBL130831 0.77 SLC1A1 (0.52)
SCHEMBL21314221 0.77 CNR1 (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019115614-A1 PEPTIDIC MELANOCORTIN 1 RECEPTOR AGONIST - SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed
WO-2019115609-A1 SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES OF HUMAN PEPTIDE Y UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed