SCHEMBL13451981

SCHEMBL13451981

CC(C)CC(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 2/20 0.43
MME P08473 2/20 0.43
MAPT P10636 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
LAP3 P28838 2/20 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
SCHEMBL29358824 1.00 ALDH1A1 (0.46) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL6447013 0.88 ALDH1A1 (0.58) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL6447009 0.88 ALDH1A1 (0.58) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL12228501 0.87 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL29425348 0.85 ALDH1A1 (0.49) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL13201644 0.84 ENPEP (0.42) ALDH1A1
SCHEMBL1711477 0.82 ALDH1A1 (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL1711472 0.82 ALDH1A1 (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL29629477 0.82 ALDH1A1 (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL29531361 0.82 ALDH1A1 (0.51) ALDH1A1MEN1LMNAKMT2AFOLH1

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-1144011-B1 PRODRUG COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COULTER PHARM INC (US) 2010-03-10 EP disclosed