SCHEMBL11045754

SCHEMBL11045754

O=C(OCC1CCC=CCCC1)OCC1CCC=CCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
PARP15 Q460N3 3/20 0.33
PARP10 Q53GL7 3/20 0.33
PARP2 Q9UGN5 1/20 0.33
SLC1A3 P43003 4/20 0.32
SLC1A2 P43004 4/20 0.32
SLC1A1 P43005 4/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MGLL Q99685 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
SCHEMBL3744191 1.00 LMNA (0.41) LMNAPARP15PARP10PARP2SLC1A3
SCHEMBL6524635 0.90 LMNA (0.37) LMNASLC1A3SLC1A2SLC1A1KDM4E
SCHEMBL1472866 0.87 LMNA (0.43) LMNAPARP15PARP10PARP2SLC1A3
SCHEMBL3744195 0.87 LMNA (0.43) LMNAPARP15PARP10PARP2SLC1A3
SCHEMBL21029278 0.85 LMNA (0.39) LMNAPARP15PARP10PARP2SLC1A3
SCHEMBL17616823 0.83 MAPK1 (0.40) LMNAKDM4ETDP1
SCHEMBL17601883 0.82 MAPK1 (0.42) LMNAKDM4ETDP1
SCHEMBL8007107 0.81 EPHX1 (0.34) TDP1
SCHEMBL25381860 0.81 LMNA (0.50) LMNAPARP15PARP10PARP2SLC1A3
SCHEMBL1672623 0.81 LMNA (0.55) LMNAPARP15PARP10PARP2SLC1A3

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-4485019-A Method of augmenting or enhancing the aroma of perfumed articles using alkyl-4-cyclooctenyl carbonates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-11-27 US disclosed