SCHEMBL12526663

SCHEMBL12526663

CCC(c1ccc(OC)c(O)c1)N(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.40
▸ REN P00797 11/20 0.40
▸ PDE4A P27815 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ EPHA2 P29317 2/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ STS P08842 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
SCHEMBL16471529 0.94 PDE4B (0.43) PDE4BRENPDE4APDE4CPDE4D
SCHEMBL16471531 0.84 REN (0.51) PDE4BREN
SCHEMBL16471534 0.80 REN (0.65) REN
SCHEMBL17779669 0.80 REN (0.55) REN
SCHEMBL16471538 0.79 REN (0.51) PDE4BREN
SCHEMBL12525835 0.78 REN (0.56) REN
SCHEMBL28041417 0.78 REN (0.56) REN
SCHEMBL12525491 0.78 REN (0.56) REN
SCHEMBL12526539 0.78 REN (0.56) REN
SCHEMBL16471580 0.78 REN (0.64) REN

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
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 — — WO disclosed
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