SCHEMBL9544071

SCHEMBL9544071

C[C@@H](OC(=O)c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.46
PPARG P37231 5/20 0.46
PPARD Q03181 2/20 0.46
APP P05067 2/20 0.45
ATM Q13315 1/20 0.44
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSK P43235 2/20 0.41
CTSS P25774 2/20 0.41
ACE P12821 1/20 0.41
TRPA1 O75762 1/20 0.40

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
SCHEMBL9544068 1.00 PPARA (0.46) PPARAPPARGPPARDAPPATM
SCHEMBL7105936 0.86 TSHR (0.55) PPARAPPARGPPARDAPPATM
SCHEMBL7105931 0.86 TSHR (0.55) PPARAPPARGPPARDAPPATM
SCHEMBL30496988 0.83 ATM (0.48) PPARAPPARGPPARDATMTSHR
SCHEMBL1926641 0.81 KDM4E (0.37) PPARAPPARGPPARDAPPATM
SCHEMBL10809684 0.81 SLC1A2 (0.55) PPARAPPARGTSHRTP53ALDH1A1
SCHEMBL25076073 0.81 SLC1A3 (0.44) PPARAPPARGPPARDAPPATM
SCHEMBL2615736 0.79 ATM (0.43) PPARAPPARGPPARDATMCTSK
SCHEMBL16488743 0.78 CTSK (0.47) APPCTSKCTSSTRPA1
SCHEMBL14673227 0.78 CTSK (0.47) APPCTSKCTSSTRPA1

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed