SCHEMBL20636770

SCHEMBL20636770

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O.NP(O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TYMS P04818 2/20 0.42
TK1 P04183 4/20 0.37
ALOX12 P18054 1/20 0.35
ADRA1A P35348 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL5486401 0.96 LMNA (0.46) LMNASMN1; SMN2TYMSTK1ALOX12
SCHEMBL10572305 0.92 TK1 (0.47) TK1
SCHEMBL2027057 0.87 LMNA (0.49) LMNASMN1; SMN2TYMSTK1ALOX12
SCHEMBL1687292 0.87 TK1 (0.51) TK1
SCHEMBL5086839 0.86 TK1 (0.46) TYMSTK1
SCHEMBL20840413 0.86 TK1 (0.40) TYMSTK1
SCHEMBL8892071 0.85 TK1 (0.40) TYMSTK1
SCHEMBL9495888 0.85 LMNA (0.54) LMNASMN1; SMN2TYMSTK1ALOX12
SCHEMBL5486404 0.85 LMNA (0.47) LMNASMN1; SMN2TYMSTK1HSP90AA1
SCHEMBL2030339 0.84 TK1 (0.38) TYMSTK1

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-20200223893-A1 THERAPEUTIC NANOCONJUGATES AND USES THEREOF CONSORCIO CENTRO DE INVESTIGACIÓN BIOMÉDICA EN RED (ES) 2020-07-16 US disclosed
EP-3427756-A1 THERAPEUTIC NANOCONJUGATES AND USES THEREOF Universidad Autónoma De Barcelona (UAB) (ES) 2019-01-16 EP disclosed