SCHEMBL7367874

SCHEMBL7367874

CC(C)C[C@H](N[C@H](C)C(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.50
FOLH1 Q04609 5/20 0.47
GRN P28799 2/20 0.45
SORT1 Q99523 2/20 0.45
LAP3 P28838 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RNPEP Q9H4A4 1/20 0.43
SLC7A5 Q01650 1/20 0.43
PLA2G2A P14555 2/20 0.42
PLA2G5 P39877 2/20 0.42
NAALAD2 Q9Y3Q0 2/20 0.42
MME P08473 1/20 0.42

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
SCHEMBL22207962 1.00 ALDH1A1 (0.57) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL22207963 1.00 ALDH1A1 (0.57) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7037584 0.84 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL16750034 0.84 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7391076 0.84 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL10705609 0.84 FOLH1 (0.51) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL10705602 0.84 FOLH1 (0.51) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7373627 0.82 ALDH1A1 (0.57) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL10974177 0.81 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL10974215 0.81 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2AMAPT

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-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed