SCHEMBL1273764

SCHEMBL1273764

CCCC#CC#CCCCCCCCCC(=O)O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.85
PTPN7 P35236 5/20 0.79
TDP1 Q9NUW8 4/20 0.59
RECQL P46063 2/20 0.59
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
BLM P54132 1/20 0.56
MCL1 Q07820 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PPARG P37231 5/20 0.56
PPARD Q03181 5/20 0.56
PPARA Q07869 5/20 0.56
HDAC11 Q96DB2 4/20 0.56

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
SCHEMBL3670270 1.00 HMGCR (0.85) HMGCRPTPN7TDP1RECQLALDH1A1
SCHEMBL26624621 1.00 HMGCR (0.85) HMGCRPTPN7TDP1RECQLALDH1A1
SCHEMBL417934 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLALDH1A1
SCHEMBL3672495 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLALDH1A1
SCHEMBL416143 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLALDH1A1
Stearic Acid SCHEMBL10942937 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLALDH1A1
SCHEMBL5052818 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLALDH1A1
SCHEMBL3667270 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLALDH1A1
SCHEMBL12478231 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLALDH1A1
SCHEMBL455799 0.92 HMGCR (1.00) HMGCRPTPN7TDP1RECQLALDH1A1

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
US-20110126325-A1 RECOMBINANT CELLS AND METHODS FOR HYDROXYLATING FATTY ACIDS COMMONWEALTH SCIENTIFIC INDUSTRIAL RESEARCH ORGANISATION 2011-05-26 US disclosed
US-20110126325-A1 RECOMBINANT CELLS AND METHODS FOR HYDROXYLATING FATTY ACIDS COMMONWEALTH SCIENTIFIC INDUSTRIAL RESEARCH ORGANISATION 2011-05-26 US disclosed
EP-2283137-A1 RECOMBINANT CELLS AND METHODS FOR HYDROXYLATING FATTY ACIDS Commonwealth Scientific and Industrial Research Organisation (AU) 2011-02-16 EP disclosed
WO-2009129583-A1 RECOMBINANT CELLS AND METHODS FOR HYDROXYLATING FATTY ACIDS COMMONWEALTH SCIENTIFIC INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-10-29 WO disclosed