SCHEMBL17864202

SCHEMBL17864202

CC(NP(C)(=O)Oc1ccccc1)C(=O)OCC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 14/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ELANE P08246 1/20 0.40
HPGD P15428 2/20 0.39
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38

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
SCHEMBL13921733 1.00 BTN3A1 (0.45) BTN3A1LMNAALDH1A1ELANEHPGD
SCHEMBL18583947 0.91 BTN3A1 (0.44) BTN3A1LMNAALDH1A1ELANEHPGD
SCHEMBL16015981 0.89 BTN3A1 (0.50) BTN3A1ALDH1A1ELANEANPEPLAP3
SCHEMBL13921729 0.87 LMNA (0.42) BTN3A1LMNAALDH1A1ELANEHPGD
SCHEMBL1745156 0.87 BTN3A1 (0.45) BTN3A1ALDH1A1ELANEANPEPLAP3
SCHEMBL17378451 0.87 BTN3A1 (0.45) BTN3A1ALDH1A1ELANEANPEPLAP3
SCHEMBL10208219 0.87 BTN3A1 (0.45) BTN3A1ALDH1A1ELANEANPEPLAP3
SCHEMBL13912396 0.86 BTN3A1 (0.44) BTN3A1ALDH1A1ELANEANPEPLAP3
SCHEMBL18583602 0.85 BTN3A1 (0.58) BTN3A1LMNAALDH1A1ELANEHPGD
SCHEMBL12746449 0.85 BTN3A1 (0.58) BTN3A1LMNAALDH1A1ELANEHPGD

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
WO-2016100441-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2016-06-23 WO disclosed