SCHEMBL8844071

SCHEMBL8844071

NC(CS)CCC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ANPEP P15144 3/20 0.47
ENPEP Q07075 2/20 0.47
CTRB1 P17538 2/20 0.47
SLC15A1 P46059 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
LTA4H P09960 1/20 0.46
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL22273540 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL4137685 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL8146945 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL27698377 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL30578035 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL8435134 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL21919739 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL21319262 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL627617 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL28156051 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed