SCHEMBL2525957

SCHEMBL2525957

CCCCC(C)OCCCC[O]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
DNM1 Q05193 2/20 0.35
FAAH O00519 5/20 0.32
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FDPS P14324 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
SCHEMBL2530019 0.98 EPHX2 (0.44) EPHX2DNM1FAAHLPAR1LPAR3
SCHEMBL2530066 0.98 EPHX2 (0.44) EPHX2DNM1FAAHLPAR1LPAR3
SCHEMBL27203931 0.94 EPHX2 (0.38) EPHX2DNM1FAAHLPAR1LPAR3
SCHEMBL2528776 0.94 EPHX2 (0.40) EPHX2DNM1FAAHCNR1CNR2
SCHEMBL27203941 0.90 EPHX2 (0.35) EPHX2DNM1FAAHCNR1CNR2
SCHEMBL2527830 0.89 EPHX2 (0.35) EPHX2DNM1
SCHEMBL2529833 0.88 EPHX2 (0.36) EPHX2DNM1LPAR1LPAR3
SCHEMBL16599773 0.88 FAAH (0.39) EPHX2DNM1FAAHCNR1CNR2
SCHEMBL2533953 0.88 EPHX2 (0.36) EPHX2DNM1LPAR1LPAR3
SCHEMBL2529150 0.87 EPHX2 (0.38) EPHX2DNM1FAAHCNR1CNR2

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-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed