SCHEMBL3883008

SCHEMBL3883008

CC(CCc1ccc(OCC2CCCC2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
CHRNA7 P36544 1/20 0.39
XDH P47989 3/20 0.38
MTOR P42345 1/20 0.37
ENPP2 Q13822 1/20 0.37
MAP3K11 Q16584 1/20 0.36
VCP P55072 2/20 0.36
ACHE P22303 2/20 0.36
HTR4 Q13639 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM2 P08172 1/20 0.36
C5AR1 P21730 1/20 0.35

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
SCHEMBL3884668 0.91 PTGS2 (0.42) PTGS2CHRNA7XDHMTORENPP2
SCHEMBL3883278 0.86 C5AR1 (0.41) XDHKEAP1NFE2L2C5AR1
SCHEMBL3881187 0.86 THRA (0.47) CHRNA7XDHENPP2VCPACHE
SCHEMBL3882037 0.85 THRA (0.48) CHRNA7XDHMTORENPP2VCP
SCHEMBL3888457 0.84 FFAR4 (0.42) CHRNA7XDHENPP2VCPACHE
SCHEMBL3884976 0.84 PPARG (0.40) XDHMTORVCPKEAP1NFE2L2
SCHEMBL3883830 0.84 MEN1 (0.40) CHRNA7MTORENPP2MAP3K11VCP
SCHEMBL3882927 0.83 PPARG (0.44) PTGS2CHRNA7XDHMTORENPP2
SCHEMBL3883011 0.82 HDAC1 (0.39) CHRNA7MTORENPP2MAP3K11VCP
SCHEMBL3882928 0.81 CCNC (0.40) CHRNA7XDHMTORENPP2ACHE

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-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed