SCHEMBL14234971

SCHEMBL14234971

COC(=O)[C@@H]1Cc2ccc(OC)c(c2)-c2cc(ccc2OC)C(N(C)C(=O)CN)C(=O)NCC(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ PSMB5 P28074 1/20 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
SCHEMBL23736085 0.92 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPSMB8
SCHEMBL806691 0.87 GAA (0.33) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL23736080 0.81 HDAC3 (0.34) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL15750368 0.81 CCNT1 (0.35) CCNT1CDK9
SCHEMBL15727223 0.81 CCNT1 (0.35) CCNT1CDK9
SCHEMBL23736263 0.81 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DPSMB8
SCHEMBL806631 0.81 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL15344705 0.80 — —
SCHEMBL23314699 0.79 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL15344732 0.77 TUBB4A (0.30) —

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-2922829-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-08-11 — — EP disclosed
WO-2012166665-A2 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2012-12-06 — — WO disclosed
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