SCHEMBL6566527

SCHEMBL6566527

NC1CC(C(=O)O)=CC1O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.47
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OAT P04181 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
ABAT P80404 1/20 0.41

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
SCHEMBL6566521 1.00 GABRR1 (0.47) GABRR1TSHRMAPK1HSD17B10OAT
SCHEMBL22618120 1.00 GABRR1 (0.47) GABRR1TSHRMAPK1HSD17B10OAT
SCHEMBL2832851 0.87 GABRR1 (0.44) GABRR1TSHRMAPK1HSD17B10OAT
SCHEMBL3872776 0.87 GABRR1 (0.44) GABRR1TSHRMAPK1HSD17B10OAT
SCHEMBL14921235 0.77
SCHEMBL1149510 0.77
Shikimic Acid SCHEMBL43377 0.76 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL15144346 0.76 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL13577074 0.76 GABRR1 (0.36) GABRR1
Shikimic Acid SCHEMBL8943144 0.76 GABRR1 (0.36) GABRR1

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-1210324-B1 SUBSTITUTED CYCLOPENTENES, THEIR PREPARATION AND THEIR USE FOR CHIRAL SCAFFOLDS CHIROTECH TECHNOLOGY LTD (GB) 2004-03-31 EP disclosed