SCHEMBL7738798

SCHEMBL7738798

CNC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.52
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 3/20 0.39
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
PTPN2 P17706 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL10290507 0.98 BLM (0.48) BLMLMNAMEN1CYP3A4ALOX15
SCHEMBL6947295 0.84 BLM (0.52) BLMLMNAMEN1CYP3A4ALOX15
SCHEMBL12352432 0.82 ACE2 (0.41) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL22294197 0.82 ACE2 (0.41) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL10630172 0.81 BLM (0.48) BLMLMNAMEN1CYP3A4ALOX15
SCHEMBL10266718 0.80 BLM (0.47) BLMLMNAMEN1CYP3A4ALOX15
SCHEMBL12377272 0.80 BLM (0.47) BLMLMNAMEN1CYP3A4ALOX15
SCHEMBL10291262 0.80 BLM (0.38) BLMLMNAMAPTKDM4CKDM4A
SCHEMBL12299087 0.78 LMNA (0.48) BLMLMNAMEN1CYP3A4KMT2A
SCHEMBL10602150 0.78 BLM (0.50) BLMLMNAMEN1CYP3A4ALOX15

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
US-6417009-B1 COUPLING LIPID AUSTRALIAN MEMBRANE AND BIOTECHNOLOGY INSTITUTE (AU) 2002-07-09 US disclosed
EP-0912546-A1 IMPROVED RESERVOIR COMPONENTS AUSTRALIAN MEMBRANE AND BIOTECHNOLOGY RESEARCH INSTITUTE (AU) 1999-05-06 EP disclosed
WO-1997043274-A1 IMPROVED RESERVOIR COMPONENTS AUSTRALIAN MEMBRANE AND BIOTECHNOLOGY RESEARCH INSTITUTE (AU) 1997-11-20 WO disclosed