SCHEMBL19975586

SCHEMBL19975586

CC(C)(C)OC(=O)CN(CCCC[C@H](NC(=O)[C@H](CCCCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(=O)O)CC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.34
CTSS P25774 1/20 0.33
NOD1 Q9Y239 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
GNPAT O15228 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL19975585 0.88 CTSK (0.33) CTSK
SCHEMBL19970336 0.80 FOLH1 (0.36) NOD1TSHRGNPAT
SCHEMBL19975584 0.80 FOLH1 (0.36) NOD1TSHRGNPAT
SCHEMBL19975587 0.77 GNPAT (0.37) NOD1TSHRGNPAT
SCHEMBL21031586 0.75 FOLH1 (0.47) GNPAT
SCHEMBL18978642 0.75 NOD1 (0.38) NOD1TSHRMEN1KMT2AGNPAT
SCHEMBL15834893 0.74 LTA4H (0.38) CTSKMEN1GAAKMT2A
SCHEMBL8058659 0.74 CTSS (0.30) CTSKCTSS
SCHEMBL21032736 0.74 FOLH1 (0.51) GNPAT
SCHEMBL14906324 0.73 NOD1 (0.54) NOD1

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
US-9920092-B1 Composition having anti-oxidant, anti-aging, and autophagy activities and uses thereof INCOSPHARM CORPORATION (KR) 2018-03-20 US disclosed
US-9920092-B1 Composition having anti-oxidant, anti-aging, and autophagy activities and uses thereof INCOSPHARM CORPORATION (KR) 2018-03-20 US disclosed