SCHEMBL5373514

SCHEMBL5373514

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
CA2 P00918 2/20 0.32
CTSK P43235 1/20 0.30
ANPEP P15144 1/20 0.30
BTK Q06187 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30

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
SCHEMBL5374387 0.90 EPHX2 (0.48) EPHX2CA2ANPEPBTKCYP3A4
SCHEMBL27646674 0.87 EPHX2 (0.47) EPHX2CA2ANPEPBTKCYP3A4
SCHEMBL5363251 0.85 EPHX2 (0.45) EPHX2CTSK
SCHEMBL5372110 0.85 EPHX2 (0.45) EPHX2CTSK
SCHEMBL5362953 0.85 EPHX2 (0.45) EPHX2CTSK
SCHEMBL27646579 0.85 EPHX2 (0.45) EPHX2CTSK
SCHEMBL5371363 0.85 EPHX2 (0.47) EPHX2CTSK
SCHEMBL5375355 0.85 EPHX2 (0.46) EPHX2
SCHEMBL9107859 0.84 EPHX2 (0.47) EPHX2CTSKANPEPBTK
SCHEMBL27626191 0.84 EPHX2 (0.45) EPHX2CA2CTSKCYP3A4TSHR

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