SCHEMBL2629586

SCHEMBL2629586

CC(=O)O[C@@H]1OC(COC(=O)C(C)(C)C)[C@@H](F)[C@H](OC(=O)C(C)(C)C)C1OC(=O)CCl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CA2 P00918 1/20 0.34
▸ F11 P03951 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ELANE P08246 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
SCHEMBL14075624 1.00 CYP2D6 (0.36) CYP2D6THRBHSD17B10CA2F11
SCHEMBL12130130 1.00 CYP2D6 (0.36) CYP2D6THRBHSD17B10CA2F11
SCHEMBL10077885 0.89 CYP2D6 (0.33) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL16327915 0.86 F11 (0.36) CYP2D6THRBHSD17B10CA2F11
SCHEMBL472876 0.81 FGF1 (0.37) CYP2D6LMNA
SCHEMBL8824639 0.76 CYP2D6 (0.56) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL20741877 0.76 CYP2D6 (0.56) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL20741964 0.76 CYP2D6 (0.56) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL26445366 0.76 CYP2D6 (0.56) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL26101291 0.76 CYP2D6 (0.56) CYP2D6THRBHSD17B10CA2LMNA

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-8158763-B2 Lipophilic protected, asparagine-linked oligosaccharide derivative containing a fucose in N-acetylglucosamine on nonreducing terminal side Kajihara, Yasuhiro (JP) 2012-04-17 — — US disclosed
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