Ether

Ether

SCHEMBL9720755

C=C(CCCC)C(=O)O.CCOCC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
ALDH1A1 P00352 4/20 0.40
THRB P10828 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
AKR1B1 P15121 1/20 0.38
TP53 P04637 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37

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
SCHEMBL22623 0.89
SCHEMBL6916130 0.89 CES1 (0.50) CES1CES2ALDH1A1THRBFNTA
SCHEMBL8433150 0.87 CES1 (0.44) CES1CES2ALDH1A1THRBFNTA
Bromide SCHEMBL30933210 0.87 CES1 (0.48) CES1CES2ALDH1A1THRBFNTA
Hydrochloric Acid SCHEMBL9902114 0.87 CES1 (0.48) CES1CES2ALDH1A1THRBFNTA
SCHEMBL2578200 0.87 CES1 (0.48) CES1CES2ALDH1A1THRBFNTA
SCHEMBL29143542 0.87 CES1 (0.48) CES1CES2ALDH1A1THRBFNTA
SCHEMBL5053405 0.87 CES1 (0.48) CES1CES2ALDH1A1THRBFNTA
Ethylene SCHEMBL7561864 0.87 CES1 (0.48) CES1CES2ALDH1A1THRBFNTA
Ethylene SCHEMBL586620 0.87 CES1 (0.48) CES1CES2ALDH1A1THRBFNTA

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
US-5156589-A Woven fabric coated with crosslinked polybutyl acrylate adhesive containing alkylphenyl polyethylene glycol and stabilizer KARL OTTO BRAUN KG (DE) 1992-10-20 US disclosed
US-4944958-A COATED WOVEN FABRIC KARL OTTO BRAUN KG (DE) 1990-07-31 US disclosed