SCHEMBL8645853

SCHEMBL8645853

CC(C)CC(NC(=O)C(C)N)C(=O)NC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ LAP3 P28838 3/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CAPN1 P07384 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ PGGT1B P53609 1/20 0.42
▸ ACE P12821 6/20 0.41
▸ MME P08473 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL2544247 1.00 ALDH1A1 (0.46) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL30913906 0.97 ALDH1A1 (0.43) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL30584465 0.92 MME (0.46) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL29531361 0.90 ALDH1A1 (0.51) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL29629477 0.90 ALDH1A1 (0.51) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL1711472 0.90 ALDH1A1 (0.51) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL1711477 0.90 ALDH1A1 (0.51) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL30053170 0.89 ALDH1A1 (0.58) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL31564802 0.89 ALDH1A1 (0.58) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL3303877 0.88 SLC7A5 (0.50) ALDH1A1LAP3MEN1LMNAKMT2A

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
US-5849525-A Compositions corresponding to a proton-coupled peptide transporter and methods of making and using same BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1998-12-15 — — US disclosed
Send feedback