SCHEMBL11211253

SCHEMBL11211253

C[C@H](N)C(=O)OC(=O)[C@@H](O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
NFKB1 P19838 2/20 0.47
LMNA P02545 2/20 0.46
ADRB2 P07550 1/20 0.46
PMP22 Q01453 1/20 0.46
NLRP3 Q96P20 1/20 0.46
BRD4 O60885 1/20 0.40
FFAR2 O15552 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL11206228 1.00 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11208359 0.85 ALOX5 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11204316 0.85 ALOX5 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9069627 0.83 FFAR2 (0.42) LMNAADRB2BRD4FFAR2L3MBTL1
SCHEMBL11208763 0.82 GRM8 (0.44) CYP2D6CYP2C19CYP1A2L3MBTL1MEN1
SCHEMBL11208244 0.82 GRM8 (0.44) CYP2D6CYP2C19CYP1A2L3MBTL1MEN1
SCHEMBL7733536 0.78 CYP3A4 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Alanine SCHEMBL11206225 0.77 LMNA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
D-Alanine SCHEMBL11211250 0.77 LMNA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21787636 0.77 L3MBTL1 (0.50) BRD4FFAR2L3MBTL1KMT2AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009722-B1 OPTICALLY ACTIVE COMPLEX, ALANINE.RING-SUBSTITUTED MANDELIC ACID, AND THE METHOD FOR PRODUCING THE SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-03-02 EP claimed
EP-0009722-A1 Optically active complex, alanine.Ring-substituted mandelic acid, and the method for producing the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-04-16 EP claimed
EP-0009722-A1 Optically active complex, alanine.Ring-substituted mandelic acid, and the method for producing the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-04-16 EP disclosed