SCHEMBL8275334

SCHEMBL8275334

O=C(OCO)OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
PTGIR P43119 3/20 0.33
PTGDR Q13258 2/20 0.33
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1444506 0.90 LMNA (0.43) LMNASLC1A3SLC1A2SLC1A1TDP1
SCHEMBL12446343 0.86 LMNA (0.38) LMNASLC1A3SLC1A2SLC1A1PTGIR
SCHEMBL23129641 0.81 LMNA (0.57) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL1672623 0.80 LMNA (0.55) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL25381860 0.80 LMNA (0.50) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL5988042 0.79 LMNA (0.37) LMNASLC1A3SLC1A2SLC1A1PTGIR
SCHEMBL697741 0.79 LMNA (0.37) LMNASLC1A3SLC1A2SLC1A1PTGIR
SCHEMBL697012 0.79 LMNA (0.37) LMNASLC1A3SLC1A2SLC1A1PTGIR
SCHEMBL1439642 0.79 ALDH1A1 (0.59) LMNAALDH1A1
SCHEMBL1669840 0.78 LMNA (0.59) LMNASLC1A3SLC1A2SLC1A1PARP15

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
EP-2316839-B1 ANTIVIRAL HETEROCYCLIC COMPOUNDS HAVING PHOSPHONATE GROUPS GILEAD SCIENCES INC (US) 2014-03-12 EP disclosed
WO-2006020276-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-23 WO disclosed