SCHEMBL6273124

SCHEMBL6273124

CCCCCCCC(=O)OC(=O)CC(C)CCCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
DGKA P23743 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PAM P19021 2/20 0.40
ACE2 Q9BYF1 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
BLM P54132 2/20 0.39
GMNN O75496 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8515232 0.97 LMNA (0.49) LMNAMAPTMAPK1DGKAALDH1A1
SCHEMBL1739619 0.92 LMNA (0.53) LMNAMAPTMAPK1DGKAALDH1A1
SCHEMBL15512626 0.87 LMNA (0.50) LMNAMAPTMAPK1DGKAALDH1A1
SCHEMBL30760720 0.87 LMNA (0.58) LMNAMAPTMAPK1DGKAALDH1A1
SCHEMBL7802146 0.87 LMNA (0.58) LMNAMAPTMAPK1DGKAALDH1A1
SCHEMBL8340752 0.87 LMNA (0.58) LMNAMAPTMAPK1DGKAALDH1A1
SCHEMBL28745605 0.87 LMNA (0.58) LMNAMAPTMAPK1DGKAALDH1A1
SCHEMBL1740609 0.87 LMNA (0.58) LMNAMAPTMAPK1DGKAALDH1A1
SCHEMBL22655191 0.87 LMNA (0.58) LMNAMAPTMAPK1DGKAALDH1A1
SCHEMBL20544133 0.87 LMNA (0.58) LMNAMAPTMAPK1DGKAALDH1A1

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-0994093-B1 POLYHYDROXYPHENOL DERIVATIVES AND PREVENTIVE AND THERAPEUTIC AGENTS FOR BONE AND CARTILAGE DISEASES CONTAINING THE SAME HOECHST MARION ROUSSEL LTD (JP) 2005-12-28 EP disclosed
US-6177474-B1 AROMATIC COMPOUND CONTAINING KETONE AND HYDROXY GROUPS HOECHST MARION ROUSSEL (FR) 2001-01-23 US disclosed
EP-0994093-A1 POLYHYDROXYPHENOL DERIVATIVES AND PREVENTIVE AND THERAPEUTIC AGENTS FOR BONE AND CARTILAGE DISEASES CONTAINING THE SAME Hoechst Marion Roussel, Ltd. (JP) 2000-04-19 EP disclosed