Ether

Ether

SCHEMBL9150674

CCOCC.N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 5/20 0.48
CA2 P00918 2/20 0.46
PDE4A P27815 3/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
PADI1 Q9ULC6 2/20 0.45
PADI4 Q9UM07 2/20 0.45
PADI2 Q9Y2J8 2/20 0.45
PADI6 Q6TGC4 1/20 0.45
PADI3 Q9ULW8 1/20 0.45
FOLH1 Q04609 8/20 0.43
NAAA Q02083 1/20 0.41

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
Alcohol SCHEMBL2258594 0.92 CA2 (0.49) C3AR1CA2PDE4APDE4BPDE4C
Alcohol SCHEMBL29029781 0.92 CA2 (0.49) C3AR1CA2PDE4APDE4BPDE4C
SCHEMBL188590 0.92 C3AR1 (0.52) C3AR1CA2PDE4APDE4BPDE4C
SCHEMBL188589 0.92 C3AR1 (0.52) C3AR1CA2PDE4APDE4BPDE4C
SCHEMBL7925397 0.92 C3AR1 (0.52) C3AR1CA2PDE4APDE4BPDE4C
Propane SCHEMBL25417180 0.91 CA2 (0.48) C3AR1CA2PDE4APDE4BPDE4C
Butane SCHEMBL25420420 0.90 CA2 (0.50) C3AR1CA2PDE4APDE4BPDE4C
SCHEMBL27905180 0.89 PADI1 (0.44) C3AR1CA2PDE4APDE4BPDE4C
Naphthalene SCHEMBL28216957 0.88 C3AR1 (0.49) C3AR1CA2PDE4APDE4BPDE4C
SCHEMBL80453 0.87 BCHE (0.47) CA2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633935-A1 STABILITY-ENHANCED VARIANTS OF PARATHYROID HORMONE Allelix Biopharmaceuticals Inc. (CA) 1995-01-18 EP disclosed
US-5382658-A Osterporosis ALLELIX BIOPHARMACEUTICALS INC. (CA) 1995-01-17 US disclosed
WO-1993020203-A2 STABILITY-ENHANCED VARIANTS OF PARATHYROID HORMONE ALLELIX BIOPHARMACEUTICALS INC. (CA) 1993-10-14 WO disclosed
US-3951939-A ISOLATION FROM SEA-ANEMONES BEHRINGWERKE AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed