SCHEMBL5067753

SCHEMBL5067753

C=CCC(CCCC)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
CA1 P00915 4/20 0.46
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
TSHR P16473 2/20 0.39
FAAH O00519 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
CPA1 P15085 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
SCHEMBL10457723 0.94 CA2 (0.44) CA2CA1MAPK1ALDH1A1SLC1A2
SCHEMBL5065618 0.88 HDAC7 (0.45) CA2CA1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3968081 0.86 CA2 (0.47) CA2CA1MAPK1MAPTSMN1; SMN2
SCHEMBL570260 0.84 CA2 (0.61) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL2081268 0.84 CA2 (0.61) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL8572261 0.82 CA2 (0.59) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL5805533 0.82 CA2 (0.44) CA2CA1MAPK1MAPTSMN1; SMN2
SCHEMBL5197384 0.82 CA2 (0.44) CA2CA1MAPK1MAPTSMN1; SMN2
SCHEMBL28191059 0.82 CA2 (0.62) CA2CA1MAPK1MAPTSMN1; SMN2
SCHEMBL8567555 0.82 CA2 (0.59) CA2CA1MAPK1SLC1A3SLC1A2

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-20080312112-A1 Lubricating formulations for dispersancy and temperature, friction, and wear reduction LYON DEVELOPMENT CORPORATION 2008-12-18 US disclosed