Sugi Predict

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SCHEMBL6249476

SCHEMBL6249476

O=C(Nc1cc(Cl)ccc1O)NC12CC3CC(CC(C3)C1)C2.O=C(Nc1cc(Cl)ccc1O)Nc1cccc2ccccc12.O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cc(Cl)ccc1O.O=C(Nc1ccccc1)Nc1cc(Cl)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 16/20 0.60
▸ GRIK1 P39086 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL6680961 0.88 EPHX2 (0.61) EPHX2KDM4EMAPT
SCHEMBL6255295 0.85 EPHX2 (0.62) EPHX2KDM4EMAPT
SCHEMBL6224093 0.81 EPHX2 (0.69) EPHX2
SCHEMBL6228091 0.79 EPHX2 (0.71) EPHX2
SCHEMBL4358450 0.78 CA12 (0.68) GRIK1MAPTCA12CA1CA2
SCHEMBL6250598 0.78 EPHX2 (0.76) EPHX2CA12CA1CA2CA9
SCHEMBL4354504 0.77 EPHX2 (0.67) EPHX2MAPT
SCHEMBL6226060 0.76 EPHX2 (0.65) EPHX2
SCHEMBL4346254 0.75 GRIK1 (0.71) GRIK1KDM4EMAPTCA12CA1
SCHEMBL6225545 0.74 EPHX2 (0.76) EPHX2CA12CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 — — EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 — — WO claimed