SCHEMBL12656010

SCHEMBL12656010

CC(C)(C)OC(=O)[C@@H](CCCOc1ccccc1)C[C@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
LTA4H P09960 1/20 0.48
PPARA Q07869 2/20 0.42
PARP10 Q53GL7 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
GRIK1 P39086 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
RECQL P46063 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL14681221 0.81 ITGB3 (0.49) TDP1PPARA
SCHEMBL8435205 0.80 TDP1 (0.46) TDP1LTA4HPPARAPARP10HPGD
SCHEMBL14681222 0.78 GRIK1 (0.64) GRM2GRM3GRIK1
SCHEMBL12656179 0.77 LTA4H (0.60) LTA4HPPARA
SCHEMBL6819996 0.76 LTA4H (0.45) TDP1LTA4HPPARAPARP10HPGD
SCHEMBL18019364 0.76 SLC1A1 (0.38) TDP1LTA4HGRIK1
SCHEMBL15984257 0.76 SLC1A2 (0.53) GRIK1
SCHEMBL18019367 0.75 SLC1A2 (0.33) GRIK1
SCHEMBL11566290 0.75 LTA4H (0.46) TDP1LTA4H
Hydrochloric Acid SCHEMBL8129682 0.74 SLC1A1 (0.64) LTA4HGRIK1

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-2011061154-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 WO disclosed