SCHEMBL1131367

SCHEMBL1131367

CCOC(=O)/C(C)=C/c1cc(-c2ccc(OCc3cc(OC)ccc3-c3ccc(Cl)cc3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.37
CMKLR1 Q99788 2/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PTPN11 Q06124 1/20 0.36
BRD4 O60885 3/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
FABP3 P05413 3/20 0.34
FABP4 P15090 3/20 0.34
KCNJ6 P48051 2/20 0.34
KCNJ5 P48544 2/20 0.34
KCNJ3 P48549 2/20 0.34
NR1H4 Q96RI1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 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
SCHEMBL1131371 1.00 FAAH (0.37) FAAHCMKLR1FFAR1FFAR4PTPN11
SCHEMBL1131841 0.92 CMKLR1 (0.40) CMKLR1FFAR1FFAR4CNR1CNR2
SCHEMBL1131843 0.92 CMKLR1 (0.40) CMKLR1FFAR1FFAR4CNR1CNR2
SCHEMBL1132056 0.89 FAAH (0.37) FAAHCMKLR1FFAR1FFAR4CNR1
SCHEMBL1131984 0.88 FAAH (0.36) FAAHCMKLR1FFAR1FFAR4BRD4
SCHEMBL1131983 0.88 FAAH (0.36) FAAHCMKLR1FFAR1FFAR4BRD4
SCHEMBL1131724 0.85 PTPN11 (0.37) FFAR1FFAR4PTPN11BRD4CNR1
SCHEMBL1132049 0.85 PTPN11 (0.37) FFAR1FFAR4PTPN11BRD4CNR1
SCHEMBL1132389 0.85 CMKLR1 (0.40) CMKLR1FFAR1FFAR4CNR1CNR2
SCHEMBL1131325 0.85 CMKLR1 (0.40) CMKLR1FFAR1FFAR4CNR1CNR2

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