SCHEMBL7290367

SCHEMBL7290367

Cc1c(OCC(=O)N2CCC[C@@H]2C(=O)O)cccc1OCC(=O)N1CCC[C@H]1OC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 4/20 0.43
PREP P48147 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CPT2 P23786 2/20 0.42
CPT1A P50416 2/20 0.42
MEN1 O00255 1/20 0.42
MVD P53602 2/20 0.41
ACE P12821 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL2503230 0.92 KMT2A (0.67) KMT2AL3MBTL1ALDH1A1PREPSMN1; SMN2
SCHEMBL2503223 0.92 KMT2A (0.67) KMT2AL3MBTL1ALDH1A1PREPSMN1; SMN2
SCHEMBL7290619 0.91 KMT2A (0.53) KMT2AALDH1A1PREPSMN1; SMN2CPT2
SCHEMBL5540038 0.88 KMT2A (0.62) KMT2AL3MBTL1ALDH1A1PREPSMN1; SMN2
SCHEMBL7299218 0.84 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2CPT2CPT1A
SCHEMBL7288562 0.84 ALDH1A1 (0.53) KMT2AL3MBTL1ALDH1A1SMN1; SMN2CPT2
SCHEMBL7985856 0.83 KMT2A (0.57) KMT2AL3MBTL1ALDH1A1PREPSMN1; SMN2
SCHEMBL7985862 0.83 KMT2A (0.57) KMT2AL3MBTL1ALDH1A1PREPSMN1; SMN2
SCHEMBL2447301 0.82 KMT2A (0.60) KMT2AALDH1A1PREPSMN1; SMN2CPT2
SCHEMBL6789761 0.82 KMT2A (0.60) KMT2AALDH1A1PREPSMN1; SMN2CPT2

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