SCHEMBL7299218

SCHEMBL7299218

O=C(O)O[C@@H]1CCCN1C(=O)COc1cccc(OCC(=O)N2CCC[C@@H]2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CPT2 P23786 10/20 0.48
CPT1A P50416 10/20 0.48
POLB P06746 1/20 0.46
PSMD14 O00487 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL6794537 0.92 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2CPT2
SCHEMBL6794547 0.92 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2CPT2
SCHEMBL7288562 0.91 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2CPT2
SCHEMBL5741590 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2CPT2
SCHEMBL7290619 0.86 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2CPT2CPT1A
SCHEMBL5741583 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2CPT2
SCHEMBL6787573 0.85 KMT2A (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2CPT2
SCHEMBL6787567 0.85 KMT2A (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2CPT2
SCHEMBL7290367 0.84 KMT2A (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2CPT2
SCHEMBL7297177 0.84 KMT2A (0.56) KMT2AMEN1ALDH1A1CPT2CPT1A

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