SCHEMBL7434626

SCHEMBL7434626

CCOC(=O)C(=O)C(CC(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33

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
SCHEMBL489304 0.81 MME (0.43) MMERNPEPSLC7A5ALDH1A1LMNA
SCHEMBL9591544 0.81 EGLN1 (0.41) EGLN1ALDH1A1NPSR1GLO1SMN1; SMN2
SCHEMBL7624689 0.79 MME (0.42) MMERNPEPSLC7A5ALDH1A1LMNA
SCHEMBL5143740 0.77 ALDH1A1 (0.33) MMEEGLN1ALDH1A1NPSR1GLO1
SCHEMBL335607 0.76 ALDH1A1 (0.43) MMEALDH1A1LMNAHSD17B10TSHR
SCHEMBL6337519 0.76 ALDH1A1 (0.36) EGLN1ALDH1A1NPSR1GLO1SMN1; SMN2
SCHEMBL5146402 0.76 TDP1 (0.37) EGLN1ALDH1A1NPSR1GLO1SMN1; SMN2
Malonic Acid Diethyl Ester SCHEMBL7365461 0.76 MGAM (0.60) MMERNPEPSLC7A5ALDH1A1LMNA
SCHEMBL7436322 0.74 CTSL (0.39) MMERNPEPSLC7A5ALDH1A1LMNA
SCHEMBL10807025 0.74 ALDH1A1 (0.42) MMEALDH1A1LMNAHSD17B10TSHR

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
US-5616605-A Peptide derivatives of collagenase inhibitor RESEARCH CORPORATION TECH., INC. (US) 1997-04-01 US disclosed
US-5387610-A Treating rheumatoid arthritis, corneal ulceration RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-02-07 US disclosed
WO-1992022523-A2 PEPTIDE DERIVATIVES OF COLLAGENASE INHIBITOR RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-12-23 WO disclosed