SCHEMBL8728752

SCHEMBL8728752

CC(C)(C)O[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
AGTR2 P50052 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
CYP2C19 P33261 1/20 0.45
PREP P48147 1/20 0.44

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
SCHEMBL820285 0.86 SMN1; SMN2 (0.53) SMN1; SMN2AGTR2NPC1RAB9ACYP2C19
SCHEMBL23485195 0.86 SMN1; SMN2 (0.53) SMN1; SMN2AGTR2NPC1RAB9ACYP2C19
SCHEMBL819239 0.86 SMN1; SMN2 (0.53) SMN1; SMN2AGTR2NPC1RAB9ACYP2C19
SCHEMBL7659903 0.84 SMN1; SMN2 (0.51) SMN1; SMN2AGTR2NPC1RAB9ACYP2C19
SCHEMBL5740609 0.84 SMN1; SMN2 (0.56) SMN1; SMN2AGTR2NPC1RAB9ACYP2C19
SCHEMBL29302842 0.84 SMN1; SMN2 (0.56) SMN1; SMN2AGTR2NPC1RAB9ACYP2C19
SCHEMBL29302825 0.84 SMN1; SMN2 (0.56) SMN1; SMN2AGTR2NPC1RAB9ACYP2C19
SCHEMBL7389859 0.82 FABP5 (0.41) AGTR2
SCHEMBL4446424 0.82 FABP5 (0.41) AGTR2
SCHEMBL21315767 0.82 FABP5 (0.41) AGTR2

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
US-5736518-A Peptide compounds of (L) amino acids and ring molecules, and therapeutical applications thereof POLIFARMA S.P.A. (IT) 1998-04-07 US disclosed