SCHEMBL6627705

SCHEMBL6627705

CCCCN(C(C)=O)C1CCCCC1.O=C(O)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.37
CYP1A2 P05177 1/20 0.36
HSD11B1 P28845 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ADH1C P00326 1/20 0.35

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
SCHEMBL628951 0.88 L3MBTL1 (0.42) ADH1AHSD11B1L3MBTL1ADH1C
SCHEMBL9632418 0.82 THRA (0.43) ADH1AADH1C
SCHEMBL9632611 0.82 THRA (0.43) ADH1AADH1C
SCHEMBL5510945 0.78 L3MBTL1 (0.42) ADH1AHSD11B1L3MBTL1ADH1C
SCHEMBL4281691 0.78 ADH1A (0.48) ADH1AL3MBTL1ADH1C
SCHEMBL9462350 0.76 ADH1A (0.47) ADH1AL3MBTL1ADH1C
SCHEMBL6627701 0.74 ALDH1A1 (0.41) L3MBTL1
SCHEMBL13911314 0.74 ADH1A (0.44) ADH1AL3MBTL1ADH1C
Acetic Acid SCHEMBL7705514 0.74 EPHX1 (0.47)
SCHEMBL9071877 0.73 L3MBTL1 (0.41) ADH1AHSD11B1L3MBTL1ADH1C

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-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed