SCHEMBL1131567

SCHEMBL1131567

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 3/20 0.39
MARS1 P56192 1/20 0.37
FFAR4 Q5NUL3 4/20 0.37
FFAR1 O14842 3/20 0.37
FABP3 P05413 3/20 0.36
FABP4 P15090 3/20 0.36
FAAH O00519 2/20 0.36
NSD2 O96028 1/20 0.35
NSD1 Q96L73 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
HPSE Q9Y251 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
GCGR P47871 1/20 0.34

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
SCHEMBL1131986 0.88 CMKLR1 (0.36) CMKLR1FFAR4FFAR1FABP3FABP4
SCHEMBL1132050 0.84 CNR1 (0.38) CMKLR1FFAR4FFAR1CNR1CNR2
SCHEMBL1131841 0.83 CMKLR1 (0.40) CMKLR1MARS1FFAR4FFAR1FABP3
SCHEMBL1131843 0.83 CMKLR1 (0.40) CMKLR1MARS1FFAR4FFAR1FABP3
SCHEMBL1131833 0.82 MDM2 (0.47) CMKLR1FABP3FABP4
SCHEMBL1131835 0.82 MDM2 (0.47) CMKLR1FABP3FABP4
SCHEMBL1131331 0.82 FFAR4 (0.48) CMKLR1FFAR4FFAR1FABP3FABP4
SCHEMBL1131259 0.81 CMKLR1 (0.40) CMKLR1MARS1FFAR4FFAR1FABP3
SCHEMBL1131325 0.81 CMKLR1 (0.40) CMKLR1MARS1FFAR4FFAR1FABP3
SCHEMBL1132389 0.81 CMKLR1 (0.40) CMKLR1MARS1FFAR4FFAR1FABP3

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