SCHEMBL11537623

SCHEMBL11537623

C[C@H]1CC[C@H](C)N1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.34
ACE P12821 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
ESR2 Q92731 2/20 0.33
HSD17B10 Q99714 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.31
GAA P10253 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
SCHEMBL11537617 1.00 SLC6A9 (0.34) SLC6A9ACEALDH1A1MAPTESR2
SCHEMBL11537621 1.00 SLC6A9 (0.34) SLC6A9ACEALDH1A1MAPTESR2
SCHEMBL13069241 0.91 RECQL (0.41) ACEALDH1A1ESR2GLAHPGD
SCHEMBL17756759 0.91 RECQL (0.41) ACEALDH1A1ESR2GLAHPGD
SCHEMBL3113944 0.91 RECQL (0.41) ACEALDH1A1ESR2GLAHPGD
SCHEMBL13248935 0.91 RECQL (0.41) ACEALDH1A1ESR2GLAHPGD
Hydrochloric Acid SCHEMBL3113711 0.89 ALDH1A1 (0.40) ACEALDH1A1ESR2GLAHPGD
SCHEMBL22128614 0.79 HTR2C (0.39) SLC6A9
SCHEMBL10686156 0.79 HSD17B10 (0.38) SLC6A9MAPTHSD17B10
SCHEMBL5857553 0.79 SLC6A9 (0.32) SLC6A9ALDH1A1

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-4140793-A HYPOGLYCEMIC AGENTS, ANTIULCER AGENTS JOHN WYETH & BROTHER, LTD. (GB) 1979-02-20 US disclosed