SCHEMBL19644693

SCHEMBL19644693

CCOC(=O)[C@H](C)NP(C)(=S)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 8/20 0.54
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.40
MMP8 P22894 1/20 0.40
ELANE P08246 2/20 0.40
PIN1 Q13526 1/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL18067181 1.00 BTN3A1 (0.54) BTN3A1LMNATDP1HSD17B10MMP8
SCHEMBL16566342 0.86 BTN3A1 (0.54) BTN3A1LMNATDP1MMP8ELANE
SCHEMBL19765980 0.85 BTN3A1 (0.53) BTN3A1LMNATDP1MMP8ELANE
SCHEMBL18061741 0.85 BTN3A1 (0.53) BTN3A1LMNATDP1MMP8ELANE
SCHEMBL18067091 0.84 BTN3A1 (0.52) BTN3A1HSD17B10ELANE
SCHEMBL18067089 0.84 BTN3A1 (0.52) BTN3A1HSD17B10ELANE
SCHEMBL12746449 0.84 BTN3A1 (0.58) BTN3A1LMNATDP1ELANEHPGD
SCHEMBL18067134 0.84 BTN3A1 (0.58) BTN3A1LMNATDP1ELANEHPGD
SCHEMBL18583602 0.84 BTN3A1 (0.58) BTN3A1LMNATDP1ELANEHPGD
SCHEMBL13921731 0.84 BTN3A1 (0.58) BTN3A1LMNATDP1ELANEHPGD

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-9828410-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2017-11-28 US disclosed