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SCHEMBL19975585

SCHEMBL19975585

CC(C)(C)OC(=O)COC(=O)[C@H](CCCCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.33
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 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
SCHEMBL19975586 0.88 CTSK (0.34) CTSK
SCHEMBL6232124 0.68 EPOR (0.40) —
SCHEMBL7564036 0.68 NR1D1 (0.36) CYP2C19
SCHEMBL7601678 0.68 CPB2 (0.33) —
SCHEMBL8058659 0.67 CTSS (0.30) CTSK
SCHEMBL19970336 0.67 FOLH1 (0.36) CYP2C19
SCHEMBL19975584 0.67 FOLH1 (0.36) CYP2C19
SCHEMBL6232568 0.67 EPOR (0.40) CTSK
SCHEMBL15834893 0.67 LTA4H (0.38) CTSKCYP1A2
SCHEMBL22966171 0.67 TDP1 (0.37) CTSK

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