SCHEMBL1131986

SCHEMBL1131986

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 5/20 0.36
GCGR P47871 4/20 0.36
FAAH O00519 2/20 0.35
FABP3 P05413 3/20 0.34
FABP4 P15090 3/20 0.34
FFAR4 Q5NUL3 3/20 0.34
FFAR1 O14842 2/20 0.34
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNG3 O60359 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNG7 P62955 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNG1 Q06432 1/20 0.32

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
SCHEMBL1131567 0.88 CMKLR1 (0.39) CMKLR1GCGRFAAHFABP3FABP4
SCHEMBL1131447 0.85 CMKLR1 (0.37) CMKLR1GCGRFABP3FABP4FFAR4
SCHEMBL1131445 0.85 CMKLR1 (0.37) CMKLR1GCGRFABP3FABP4FFAR4
SCHEMBL1131984 0.82 FAAH (0.36) CMKLR1GCGRFAAHFABP3FABP4
SCHEMBL1131983 0.82 FAAH (0.36) CMKLR1GCGRFAAHFABP3FABP4
SCHEMBL1131833 0.78 MDM2 (0.47) CMKLR1FABP3FABP4
SCHEMBL1131835 0.78 MDM2 (0.47) CMKLR1FABP3FABP4
SCHEMBL1131977 0.76 FABP3 (0.34) CMKLR1GCGRFAAHFABP3FABP4
SCHEMBL1132019 0.75 PTGS2 (0.40) CMKLR1FAAHFABP3FABP4
SCHEMBL1132021 0.75 PTGS2 (0.40) CMKLR1FAAHFABP3FABP4

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