SCHEMBL9011484

SCHEMBL9011484

CCCCCCN(O[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(N(C(=O)c3ccccc3)C(=O)c3ccccc3)ncnc21)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.30
▸ NPEPPS P55786 2/20 0.30
▸ TP53 P04637 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PAX8 Q06710 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
SCHEMBL29792961 0.88 TYMP (0.40) TYMPLMNASMN1; SMN2NPEPPSTP53
SCHEMBL31160200 0.87 TYMP (0.43) TYMPLMNASMN1; SMN2NPEPPSTP53
SCHEMBL29793043 0.85 TYMP (0.39) TYMPLMNASMN1; SMN2NPEPPSTP53
SCHEMBL30173459 0.84 TYMP (0.42) TYMPLMNASMN1; SMN2NPEPPSTP53
SCHEMBL29793014 0.84 TYMP (0.43) TYMPLMNASMN1; SMN2NPEPPSTP53
SCHEMBL5980627 0.82 TYMP (0.31) TYMP
SCHEMBL25231413 0.81 TYMP (0.40) TYMP
SCHEMBL7251165 0.81 TYMP (0.40) TYMP
SCHEMBL30173452 0.81 TYMP (0.42) TYMPLMNASMN1; SMN2NPEPPSTP53
SCHEMBL29793200 0.81 TYMP (0.42) TYMPLMNASMN1; SMN2NPEPPSTP53

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-5543507-A BONDING STRANDS OR ONE STRAND AT DIFFERENT SITES; RNA MIMICS FIXED IN SPATIAL CONFORMATION; NUCLEASE RESISTANT MIMICS OF BINDING RECEPTORS FOR NUCLEIC ACID-BINDING PROTEINS; 5-LIPOXYGENASE INHIBITORS; DIAGNOSIS; ANALYZING ISIS PHARMACEUTICALS, INC. (US) 1996-08-06 — — US disclosed
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