SCHEMBL7344731

SCHEMBL7344731

CCOC(C)OCC.O=CCCBr

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.32
THRB P10828 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
Ethylene SCHEMBL11209176 0.96 LMNA (0.48) LMNAALDH1A1TSHR
Butane SCHEMBL8184201 0.96 LMNA (0.48) LMNAALDH1A1TSHR
SCHEMBL11485155 0.86 LMNA (0.63) LMNAALDH1A1TSHRTHRB
SCHEMBL9657661 0.86 LMNA (0.46) LMNAALDH1A1TSHR
SCHEMBL188914 0.84 LMNA (0.60) LMNAALDH1A1THRB
Butane SCHEMBL9544063 0.83 LMNA (0.43) LMNAALDH1A1TSHR
Butanal SCHEMBL264581 0.82 ALDH1A1 (0.57) LMNAALDH1A1TSHRTHRB
Glutaral SCHEMBL7174412 0.82 LMNA (0.57) LMNAALDH1A1TSHRTHRB
Butanal SCHEMBL11750341 0.82 ALDH1A1 (0.57) LMNAALDH1A1TSHRTHRB
Butane SCHEMBL11232709 0.80 LMNA (0.55) LMNAALDH1A1THRB

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-0826000-B1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES DARWIN DISCOVERY LTD (GB) 2002-10-23 EP disclosed
EP-0826000-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES Chiroscience Limited (GB) 1998-03-04 EP disclosed
US-5656260-A CONSISTS OF (3Z,,6Z)DODECADIENE-12-OLIDE AND 13-METHYL-(3Z,5Z)-13-OLIDE TOGETHER WITH FUNGAL VOLATILE SELECTED FROM 1-OCTEN-3-OL, 3-OCTANOL, 3-METHYLBUTANOL; EFFECTIVE TRAP FOR OKRYZAEPHILUS SURINAMENSIS BETTLE THE MINISTER OF AGRICULTURE FISHERIES AND FOOD IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE U.K. OF GT. BRITAIN AND N. IRELAND (GB) 1997-08-12 US disclosed
WO-1996035714-A1 PEPTIDE COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USES CHIROSCIENCE LIMITED (GB) 1996-11-14 WO disclosed