SCHEMBL1132016

SCHEMBL1132016

CCC(=C(C)C(=O)O)c1cc(C2CCCCC2)n(-c2ccc(O)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
EPHX2 P34913 4/20 0.36
CRACR2A Q9BSW2 2/20 0.35
MGLL Q99685 4/20 0.35
MIF P14174 1/20 0.34
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
P2RX7 Q99572 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL1132014 1.00 SLC5A1 (0.37) SLC5A1CNR1CNR2EPHX2CRACR2A
SCHEMBL1131660 0.86 MDM2 (0.45) CRACR2A
SCHEMBL1131253 0.79 SLC5A1 (0.38) SLC5A1CNR1CNR2EPHX2CRACR2A
SCHEMBL1131260 0.76 SLC5A1 (0.39) SLC5A1EPHX2CRACR2AMIF
SCHEMBL1132019 0.74 PTGS2 (0.40) MGLLFAAH
SCHEMBL1132021 0.74 PTGS2 (0.40) MGLLFAAH
SCHEMBL1132013 0.71 MEN1 (0.37) SLC5A1EPHX2FAAH
SCHEMBL1132015 0.71 MEN1 (0.37) SLC5A1EPHX2FAAH
SCHEMBL3889862 0.71 SLC5A1 (0.40) SLC5A1EPHX2CRACR2AMIF
SCHEMBL3889857 0.71 SLC5A1 (0.40) SLC5A1EPHX2CRACR2AMIF

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
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed