SCHEMBL11207149

SCHEMBL11207149

C[C@@H](N)C(=O)OC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GRM8 O00222 4/20 0.47
GRM4 Q14833 4/20 0.47
GRM6 O15303 3/20 0.47
KMO O15229 1/20 0.43
ACP3 P15309 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL11205688 1.00 MEN1 (0.48) MEN1HPGDKMT2AL3MBTL1GRM8
Alanine SCHEMBL11207143 0.82 GRM8 (0.53) MEN1HPGDKMT2AL3MBTL1GRM8
D-Alanine SCHEMBL11205686 0.82 GRM8 (0.53) MEN1HPGDKMT2AL3MBTL1GRM8
SCHEMBL2353731 0.82 ALDH1A1 (0.53) MEN1HPGDKMT2AL3MBTL1GRM8
SCHEMBL2189277 0.80 LMNA (0.57) MEN1HPGDKMT2AL3MBTL1GRM8
SCHEMBL10532381 0.80 LMNA (0.57) MEN1HPGDKMT2AL3MBTL1GRM8
SCHEMBL4988811 0.75 CYP2D6 (0.48) MEN1KMT2AL3MBTL1GRM8GRM4
SCHEMBL27616191 0.75 SMN1; SMN2 (0.58) MEN1HPGDKMT2ALMNAALDH1A1
SCHEMBL5157317 0.75 ACP3 (0.56) MEN1HPGDKMT2AL3MBTL1GRM8
SCHEMBL742437 0.75 ACP3 (0.56) MEN1HPGDKMT2AL3MBTL1GRM8

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 4 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-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 disclosed
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