SCHEMBL6955872

SCHEMBL6955872

O=C(O)c1ccc(C2C(O)CNCC2CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.43
PYGL P06737 1/20 0.42
GBA2 Q9HCG7 1/20 0.42
GAA P10253 1/20 0.42
GLB1 P16278 1/20 0.42
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
P2RY14 Q15391 2/20 0.33
SRD5A2 P31213 1/20 0.32
OPRD1 P41143 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6042465 0.83 KDM4E (0.42) GBA1PYGLGBA2GAAGLB1
SCHEMBL2684014 0.81 GBA1 (0.47) GBA1PYGLGBA2GAAGLB1
SCHEMBL6958961 0.81 GBA1 (0.47) GBA1PYGLGBA2GAAGLB1
Bromide SCHEMBL1941630 0.80 GBA1 (0.46) GBA1PYGLGBA2GAAGLB1
Bromide SCHEMBL5282167 0.80 GBA1 (0.46) GBA1PYGLGBA2GAAGLB1
SCHEMBL6042903 0.80 GBA1 (0.46) GBA1PYGLGBA2GAAGLB1
SCHEMBL27503578 0.78 GBA1 (0.47) GBA1PYGLGBA2GAAGLB1
SCHEMBL15984732 0.70 TSHR (0.50) TP53TSHRP2RY14SRD5A2
SCHEMBL13831811 0.69 TSHR (0.44) TP53TSHRP2RY14SRD5A2
Terephthalic Acid SCHEMBL7753889 0.67 TSHR (0.50) TP53TSHRSRD5A2

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed