SCHEMBL3178508

SCHEMBL3178508

O=C(Nc1c(Cl)cccc1Cl)N[C@H]1CC[C@H](OCc2c(F)cccc2F)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.62
▸ ALDH1A1 P00352 6/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ DRD2 P14416 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42

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
SCHEMBL3178515 1.00 EPHX2 (0.62) EPHX2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3183706 0.91 EPHX2 (0.66) EPHX2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3183713 0.91 EPHX2 (0.66) EPHX2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3178463 0.89 EPHX2 (0.59) EPHX2ALDH1A1KDM4EKMT2ATDP1
SCHEMBL3178456 0.89 EPHX2 (0.59) EPHX2ALDH1A1KDM4EKMT2ATDP1
SCHEMBL3194063 0.86 EPHX2 (0.62) EPHX2ALDH1A1KMT2AMEN1DRD2
SCHEMBL3194066 0.86 EPHX2 (0.62) EPHX2ALDH1A1KMT2AMEN1DRD2
SCHEMBL3194077 0.85 EPHX2 (0.66) EPHX2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3194087 0.85 EPHX2 (0.66) EPHX2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3178470 0.84 EPHX2 (0.72) EPHX2ALDH1A1KDM4EKMT2AMEN1

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-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 — — US claimed
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