SCHEMBL8763086

SCHEMBL8763086

CC(C)CCCCCCCCCCCCC(=O)OOOC(=O)CCCCCCCCCCCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.43
KDM4A O75164 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
DEGS1 O15121 1/20 0.39
BLM P54132 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL64942 0.91 KDM4C (0.46) KDM4CKDM4APHF8KDM2ALMNA
SCHEMBL791032 0.89 KDM4C (0.43) KDM4CKDM4APHF8KDM2ALMNA
SCHEMBL27884442 0.86 KDM4C (0.42) KDM4CKDM4APHF8KDM2ALMNA
SCHEMBL29468138 0.86 KDM4C (0.37) KDM4CKDM4APHF8KDM2ALMNA
SCHEMBL22774009 0.84 LMNA (0.53) LMNAL3MBTL1MAPTMEN1CYP3A4
SCHEMBL22775401 0.84 KDM4C (0.41) KDM4CKDM4APHF8KDM2ALMNA
SCHEMBL22774783 0.84 LMNA (0.44) KDM4CKDM4APHF8KDM2ALMNA
SCHEMBL22775174 0.84 LMNA (0.58) LMNAMAPTMEN1KMT2ADGKA
SCHEMBL248421 0.84 KDM4C (0.41) KDM4CKDM4APHF8KDM2ALMNA
SCHEMBL22775059 0.84 LMNA (0.48) KDM4CKDM4APHF8KDM2ALMNA

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
EP-0779821-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS Marsden, John Christopher (GB) 1997-06-25 EP disclosed
WO-1996007434-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS MARSDEN, JOHN, CHRISTOPHER (GB) 1996-03-14 WO disclosed