SCHEMBL7288562

SCHEMBL7288562

O=C(O)O[C@@H]1CCCN1C(=O)COc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 4/20 0.49
CPT2 P23786 6/20 0.48
CPT1A P50416 6/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
MVD P53602 2/20 0.46

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
SCHEMBL3187180 0.91 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2ACPT2CPT1A
SCHEMBL3187156 0.91 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2ACPT2CPT1A
SCHEMBL7299218 0.91 KMT2A (0.51) ALDH1A1KMT2ACPT2CPT1ASMN1; SMN2
SCHEMBL7290619 0.88 KMT2A (0.53) ALDH1A1KMT2ACPT2CPT1ASMN1; SMN2
SCHEMBL7297177 0.86 KMT2A (0.56) ALDH1A1L3MBTL1KMT2ACPT2CPT1A
SCHEMBL5743864 0.85 ALDH1A1 (0.63) ALDH1A1L3MBTL1KMT2ACPT2CPT1A
SCHEMBL3148212 0.85 ALDH1A1 (0.63) ALDH1A1L3MBTL1KMT2ACPT2CPT1A
SCHEMBL5741156 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2ACPT2CPT1A
SCHEMBL5741958 0.85 KMT2A (0.65) ALDH1A1L3MBTL1KMT2ACPT2CPT1A
SCHEMBL5743409 0.85 L3MBTL1 (0.60) ALDH1A1L3MBTL1KMT2ACPT2CPT1A

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-0915088-B1 D-Proline derivatives HOFFMANN LA ROCHE (CH) 2002-09-18 EP claimed