SCHEMBL7369922

SCHEMBL7369922

CCC(C)CNC(CC(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
FOLH1 Q04609 4/20 0.42
PLA2G2A P14555 2/20 0.41
PLA2G5 P39877 2/20 0.41
LAP3 P28838 3/20 0.40
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
MME P08473 1/20 0.38
SLC7A5 Q01650 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
SCHEMBL7369923 1.00 ALDH1A1 (0.50) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL73762 0.84 MAPT (0.60) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL2121537 0.84 MAPT (0.60) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL28205062 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL5870000 0.80 ALDH1A1 (0.53) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL6374257 0.80 ALDH1A1 (0.53) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL7130634 0.79 ALDH1A1 (0.59) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL839404 0.79 ALDH1A1 (0.59) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL3451868 0.79 ALDH1A1 (0.59) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL31229238 0.78 FOLH1 (0.48) FOLH1

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
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed