SCHEMBL8912905

SCHEMBL8912905

CCOC(=O)[C@H](C[NH])c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
GAA P10253 1/20 0.51
PIN1 Q13526 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.45
CHRM1 P11229 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL805646 0.85 GAA (0.62) MMP8GAAPIN1MEN1KMT2A
SCHEMBL23027214 0.85 GAA (0.62) MMP8GAAPIN1MEN1KMT2A
SCHEMBL260296 0.85 GAA (0.62) MMP8GAAPIN1MEN1KMT2A
SCHEMBL5972492 0.85 MMP8 (0.56) MMP8GAAPIN1MEN1NPC1
SCHEMBL5811954 0.84 MMP8 (0.54) MMP8GAAPIN1MEN1NPC1
Hydrogen Sulfide SCHEMBL28874620 0.84 GAA (0.60) MMP8GAAPIN1MEN1KMT2A
Hydrogen Sulfide SCHEMBL27877648 0.84 GAA (0.60) MMP8GAAPIN1MEN1KMT2A
SCHEMBL10635430 0.84 MMP8 (0.54) MMP8GAAPIN1MEN1NPC1
SCHEMBL7684411 0.83 SMN1; SMN2 (0.55) MMP8GAAPIN1MEN1NPC1
SCHEMBL8912908 0.82 MMP8 (0.53) MMP8GAAPIN1MEN1NPC1

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
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed