SCHEMBL6694723

SCHEMBL6694723

CCCC(O)NCCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CNR1 P21554 1/20 0.33
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL6703423 0.88 CNR1 (0.36) TSHRCNR1SPHK1CYP3A4EPHX1
SCHEMBL6694663 0.83 TSHR (0.36) TSHRCNR1ANPEPDNPEPADRA1A
SCHEMBL975993 0.82
SCHEMBL976801 0.80 TSHR (0.38) TSHRHDAC7HDAC8HDAC6HDAC9
SCHEMBL6693282 0.78 TSHR (0.35) TSHRHDAC7HDAC8HDAC6HDAC9
SCHEMBL4938031 0.78 ALDH1A1 (0.43) TSHREPHX1
SCHEMBL6704779 0.78
SCHEMBL12248058 0.77 TP53 (0.41) TSHRHDAC7HDAC8HDAC6HDAC9
SCHEMBL6695124 0.76 ALDH1A1 (0.46) TSHRHDAC7HDAC8HDAC6HDAC9
SCHEMBL976762 0.76

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004533516-A 2004-11-04 JP claimed
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US claimed
EP-1397468-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY Total France (FR) 2004-03-17 EP claimed
WO-2002097014-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY TOTAL FRANCE (FR) 2002-12-05 WO claimed
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US disclosed
EP-1397468-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY Total France (FR) 2004-03-17 EP disclosed
WO-2002097014-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY TOTAL FRANCE (FR) 2002-12-05 WO disclosed