SCHEMBL9516682

SCHEMBL9516682

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
SLC1A3 P43003 1/20 0.31
TSHR P16473 2/20 0.31
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
CTSK P43235 2/20 0.30
HPGD P15428 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
NPR3 P17342 1/20 0.30

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
SCHEMBL9516676 1.00 ALDH1A1 (0.33) ALDH1A1AAK1HCAR2ATMTPSAB1
SCHEMBL5058562 0.81 ALDH1A1 (0.35) ALDH1A1HCAR2ATMTSHRCTSK
SCHEMBL13519736 0.78 AAK1 (0.42) ALDH1A1AAK1HCAR2ATMTSHR
SCHEMBL7375873 0.77 ALDH1A1 (0.39) ALDH1A1HCAR2ATMSLC1A2SLC1A1
SCHEMBL7806878 0.76 ALDH1A1 (0.38) ALDH1A1HCAR2ATMSLC1A2SLC1A1
SCHEMBL19586697 0.76 TPSAB1 (0.46) ALDH1A1TPSAB1TPSD1TPSG1CTSK
SCHEMBL29013205 0.75 MEN1 (0.33) AAK1CTSKCTSLCTSBCTSS
SCHEMBL8579779 0.75 AAK1 (0.37) AAK1SLC1A2SLC1A3CTSKCTSL
SCHEMBL27316477 0.75 ATM (0.39) ALDH1A1HCAR2ATMSLC1A2SLC1A1
SCHEMBL8579775 0.75 AAK1 (0.37) AAK1SLC1A2SLC1A3CTSKCTSL

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-0438566-A4 THERAPEUTIC PEPTIDES 1993-03-31 EP disclosed
EP-0438566-A1 THERAPEUTIC PEPTIDES. UNIV TULANE (US) 1991-07-31 EP disclosed