SCHEMBL8600987

SCHEMBL8600987

COC(=O)C(C)(O)C(CC(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MME P08473 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
CPA1 P15085 1/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL8600991 1.00 RNPEP (0.36) RNPEPSLC7A5ALDH1A1MMEMEN1
SCHEMBL16824154 0.79 MMP8 (0.36) RNPEPSLC7A5ALDH1A1MMEMEN1
SCHEMBL12136003 0.73 RNPEP (0.46) RNPEPSLC7A5ALDH1A1MEN1KMT2A
SCHEMBL7197080 0.73 DGAT1 (0.48) ALDH1A1DGAT1
SCHEMBL30386311 0.71 CTSS (0.37) RNPEPSLC7A5ALDH1A1MMEMEN1
SCHEMBL20960951 0.71 RNPEP (0.40) RNPEPSLC7A5ALDH1A1MEN1KMT2A
SCHEMBL14670248 0.71 RNPEP (0.40) RNPEPSLC7A5ALDH1A1MEN1KMT2A
SCHEMBL606621 0.70 DGAT1 (0.37) ALDH1A1DGAT1
SCHEMBL21902741 0.70 RNPEP (0.43) RNPEPSLC7A5ALDH1A1MEN1KMT2A
SCHEMBL28550395 0.70 DGAT1 (0.37) ALDH1A1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821669-A1 HYDROXAMIC AND CARBOXYLIC ACIDS AS METALLOPROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
US-5691381-A ANTAGONIST OF TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-25 US disclosed
WO-1996033166-A1 HYDROXAMIC AND CARBOXYLIC ACIDS AS METALLOPROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed