SCHEMBL16214943

SCHEMBL16214943

CC(=O)/C=C\N(C(C)=O)[C@@H]1O[C@@](COC(=O)c2ccccc2)(N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ ABCB1 P08183 7/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL16377259 1.00 MAPT (0.33) MAPTABCB1CYP1A2CYP2C9CYP2C19
SCHEMBL15250846 0.92 CYP1A2 (0.31) ABCB1CYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL16214949 0.82 ABCB1 (0.33) ABCB1CYP1A2CYP2C9CYP2C19
SCHEMBL17863951 0.80 MAPT (0.35) MAPTABCB1
SCHEMBL16214951 0.74 ABCB1 (0.32) ABCB1
SCHEMBL17359834 0.73 ABCB1 (0.31) MAPTABCB1
SCHEMBL17359833 0.73 ABCB1 (0.31) MAPTABCB1
SCHEMBL13523562 0.73 PTPN1 (0.36) MAPTABCB1CYP1A2CYP2C9CYP2C19
SCHEMBL13523774 0.73 PTPN1 (0.36) MAPTABCB1CYP1A2CYP2C9CYP2C19
SCHEMBL15095554 0.71 USP2 (0.45) CYP1A2CYP2C9PTPN1

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-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 — — US disclosed
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