SCHEMBL6669959

SCHEMBL6669959

CC(C)(C)OC(=O)OC(=O)[C@@H](N)CCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ TLR2 O60603 2/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ CASP3 P42574 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
SCHEMBL4906458 0.97 KMT2A (0.54) KMT2ATLR2TLR1MDM2EPHX2
SCHEMBL28629484 0.89 KMT2A (0.58) KMT2ATLR2TLR1MDM2EPHX2
SCHEMBL28629485 0.89 KMT2A (0.58) KMT2ATLR2TLR1MDM2EPHX2
SCHEMBL31758332 0.89 KMT2A (0.58) KMT2ATLR2TLR1MDM2EPHX2
Hydrochloric Acid SCHEMBL29380070 0.88 KMT2A (0.57) KMT2ATLR2TLR1MDM2EPHX2
SCHEMBL29482638 0.85 KMT2A (0.61) KMT2ATLR2MDM2EPHX2CASP3
SCHEMBL22127844 0.85 KMT2A (0.61) KMT2ATLR2MDM2EPHX2CASP3
SCHEMBL22127873 0.85 KMT2A (0.61) KMT2ATLR2MDM2EPHX2CASP3
Hydrochloric Acid SCHEMBL29902249 0.85 KMT2A (0.52) KMT2ATLR2TLR1MDM2EPHX2
SCHEMBL22127898 0.83 KMT2A (0.57) KMT2ATLR2EPHX2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458378-A1 AMINO ACID DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-22 — — EP disclosed
WO-2003045378-A1 AMINO ACID DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-05 — — WO disclosed
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