SCHEMBL17111427

SCHEMBL17111427

[CH]c1ccc(OC)c(OC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.42
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
CA2 P00918 3/20 0.39

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
SCHEMBL17111425 1.00 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DTUBB4A
SCHEMBL497561 0.83 CA2 (0.54) PDE4ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL497560 0.83 CA2 (0.54) PDE4ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13791695 0.78 CA12 (0.68) CA2CA12CA1CA7CA9
SCHEMBL10196610 0.78 ACHE (0.68) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL13518311 0.76 MAOB (0.55) PDE4BPDE4APDE4CPDE4DTUBB4A
SCHEMBL13518153 0.76 CA12 (0.54) PDE4BPDE4APDE4CPDE4DTUBB4A
SCHEMBL4152456 0.76 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DTUBB4A
SCHEMBL1010304 0.76 KDM4E (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL19088280 0.76 TRPV4 (0.46) PDE4BALDH1A1GAAMAPTCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122847-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-05-15 EP disclosed
EP-3122847-A1 PERFUME SYSTEMS The Procter & Gamble Company (US) 2017-02-01 EP disclosed
WO-2015148743-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2015-10-01 WO disclosed