SCHEMBL15670665

SCHEMBL15670665

CC[C@H](C)[C@H](N)C(=O)Oc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
DPP8 Q6V1X1 6/20 0.40
DPP9 Q86TI2 6/20 0.40
DPP7 Q9UHL4 4/20 0.40
DPP4 P27487 2/20 0.40
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
IARS1 P41252 4/20 0.36
ALOX5 P09917 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15670569 0.84 MMP1 (0.42) ALDH1A1MMP1MMP9MMP12SLC1A3
SCHEMBL15671059 0.83 MMP1 (0.41) ALDH1A1MMP1MMP9MMP12SLC1A3
SCHEMBL8633653 0.81 MMP1 (0.42) ALDH1A1MMP1MMP9MMP12ALOX5
SCHEMBL5656608 0.81 MMP1 (0.44) ALDH1A1MMP1MMP9MMP12SLC1A3
SCHEMBL15670432 0.78 MMP1 (0.42) ALDH1A1MMP1MMP9MMP12SLC1A3
SCHEMBL28403676 0.76 MMP1 (0.40) ALDH1A1MMP1MMP9MMP12MAPT
SCHEMBL10708795 0.76 MMP1 (0.40) ALDH1A1MMP1MMP9MMP12NPC1
SCHEMBL15670418 0.75 MMP1 (0.42) ALDH1A1MMP1MMP9MMP12SLC1A3
SCHEMBL7780494 0.75 DPP8 (0.48) DPP8DPP9DPP7DPP4SLC1A3
SCHEMBL15670510 0.75 MMP1 (0.42) ALDH1A1MMP1MMP9MMP12SLC1A3

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-2914132-A1 FLAVOUR ADDITIVES Mars, Incorporated (US) 2015-09-09 EP disclosed
WO-2014068045-A1 FLAVOUR ADDITIVES MARS, INCORPORATED (US) 2014-05-08 WO disclosed