SCHEMBL5374387

SCHEMBL5374387

CCCCC(CCCC(CC)CC)OC(=O)C1CCCC(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
TSHR P16473 2/20 0.34
CYP3A4 P08684 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 3/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ANPEP P15144 1/20 0.32
BTK Q06187 1/20 0.32
S1PR5 Q9H228 2/20 0.31

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
SCHEMBL27646674 0.91 EPHX2 (0.47) EPHX2TSHRCYP3A4ATMTDP1
SCHEMBL5373514 0.90 EPHX2 (0.47) EPHX2TSHRCYP3A4ATMTDP1
SCHEMBL27626191 0.88 EPHX2 (0.45) EPHX2TSHRCYP3A4ATMTDP1
SCHEMBL5371363 0.87 EPHX2 (0.47) EPHX2S1PR5
SCHEMBL9107859 0.86 EPHX2 (0.47) EPHX2ANPEPBTKS1PR5
SCHEMBL5375229 0.85 EPHX2 (0.46) EPHX2ANPEPBTKS1PR5
SCHEMBL5372110 0.85 EPHX2 (0.45) EPHX2S1PR5
SCHEMBL5363251 0.85 EPHX2 (0.45) EPHX2S1PR5
SCHEMBL5362953 0.85 EPHX2 (0.45) EPHX2S1PR5
SCHEMBL27646579 0.85 EPHX2 (0.45) EPHX2S1PR5

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
US-7208545-B1 Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-04-24 US claimed