SCHEMBL7394606

SCHEMBL7394606

CCC(C)CC(NC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.42
NAALAD2 Q9Y3Q0 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.37
ACE P12821 1/20 0.35
PLA2G2A P14555 2/20 0.35
PLA2G5 P39877 2/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL7394607 1.00 FOLH1 (0.42) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL24966082 1.00 FOLH1 (0.42) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL7561576 0.84 FOLH1 (0.41) FOLH1NAALAD2ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL19949198 0.84 CHRM1 (0.40) FOLH1NAALAD2ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL19949047 0.83 ALDH1A1 (0.48) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL28251227 0.83 FOLH1 (0.39) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL27995355 0.83 ACE2 (0.37) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL27139876 0.82 FOLH1 (0.38) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL27139873 0.82 FOLH1 (0.38) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL16442209 0.82 KISS1R (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US claimed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO claimed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed