SCHEMBL6567364

SCHEMBL6567364

N[C@@H](CC(=O)O)C(=O)C1(N)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.35
MME P08473 2/20 0.35
DPP4 P27487 2/20 0.34
ARG1 P05089 1/20 0.33
GRIK1 P39086 3/20 0.33
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31
GRIK2 Q13002 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL3336186 1.00 ALDH1A1 (0.37) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL27360095 0.78 ALDH1A1 (0.35) ALDH1A1USP2LMNACYP1A2TSHR
Aspartic Acid SCHEMBL6706587 0.76 GRIK1 (0.42) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL7646569 0.74 CYP2C19 (0.38) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL17933639 0.69 TSHR (0.34) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL28478525 0.69 TSHR (0.34) ALDH1A1USP2LMNACYP1A2TSHR
Aspartic Acid SCHEMBL376347 0.68 SLC22A6 (0.39) LMNACYP1A2SMN1; SMN2DPP4GRIK1
Aspartic Acid SCHEMBL2728797 0.68 SLC22A6 (0.39) LMNACYP1A2SMN1; SMN2DPP4GRIK1
Propionic Acid SCHEMBL8331569 0.67 FFAR3 (0.46) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL20104759 0.67 MME (0.39) ALDH1A1USP2LMNACYP1A2TSHR

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-1438968-A1 Topical compositions containing at least one polypeptide hydrolase with an amidasic activity and /or compounds capable of modulating this activity L'OREAL (FR) 2004-07-21 EP disclosed