SCHEMBL7046565

SCHEMBL7046565

CCOC(=O)C(=CC(C)C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
NPSR1 Q6W5P4 1/20 0.37
GLO1 Q04760 1/20 0.37
GRIK1 P39086 2/20 0.37
GRIA2 P42262 2/20 0.37
GRIA4 P48058 2/20 0.37
GRIK3 Q13003 2/20 0.37
GRIK5 Q16478 2/20 0.37
GRIA1 P42261 1/20 0.37
GRIK2 Q13002 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 4/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4661591 0.85 GAA (0.50) SMN1; SMN2ALDH1A1CYP2D6EGLN1NPSR1
SCHEMBL12162469 0.82 GRIK1 (0.40) ALDH1A1EGLN1GRIK1GRIA2GRIA4
SCHEMBL1405553 0.82 GRIK1 (0.40) ALDH1A1EGLN1GRIK1GRIA2GRIA4
SCHEMBL28464075 0.82 GRIK1 (0.35) ALDH1A1GRIK1GRIA2GRIA4GRIK3
SCHEMBL1597248 0.80 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CYP2D6EGLN1NPSR1
SCHEMBL9241910 0.79 GRIK1 (0.38) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL28448521 0.79 NPSR1 (0.38) SMN1; SMN2ALDH1A1CYP2D6EGLN1NPSR1
SCHEMBL5963307 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1CYP2D6EGLN1NPSR1
SCHEMBL5963310 0.79 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1CYP2D6EGLN1NPSR1
SCHEMBL28326056 0.78 KDM4E (0.36) GRIK1GRIA2GRIA4GRIK3GRIK5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042270-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2003-04-09 EP disclosed
US-6207853-B1 SUCCINIC ACID DERIVATIVE CHIROTECH TECHNOLOGY, INC. (GB) 2001-03-27 US disclosed
EP-1042270-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2000-10-11 EP disclosed
WO-1999031041-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-06-24 WO disclosed
US-4918105-A Novel compounds with collagenase-inhibiting activity, a process for their preparation and pharmaceutical compositions in which these compounds are present SA LABORATOIRE ROGER BELLON (FR) 1990-04-17 US disclosed