SCHEMBL7788804

SCHEMBL7788804

CCCCCCCCCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.71
HDAC1 Q13547 4/20 0.67
HDAC8 Q9BY41 2/20 0.67
HTR7 P34969 1/20 0.58
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
STS P08842 4/20 0.56
HDAC3 O15379 2/20 0.55
HDAC2 Q92769 2/20 0.55

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
SCHEMBL7907717 1.00 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL7789360 1.00 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL4293741 1.00 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL7789291 1.00 HSD17B3 (0.71) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL4198536 0.98 HSD17B3 (0.70) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL19757444 0.95 HSD17B3 (0.65) HSD17B3HDAC1HDAC8HTR7THRA
SCHEMBL1091479 0.92 HSD17B3 (0.69) HSD17B3HDAC1HDAC8HTR7STS
SCHEMBL13085847 0.90 HSD17B3 (0.85) HSD17B3HTR7THRATHRBSTS
SCHEMBL13085794 0.90 HSD17B3 (0.85) HSD17B3HTR7THRATHRBSTS
SCHEMBL18753070 0.88 HSD17B3 (0.84) HSD17B3HTR7THRATHRBSTS

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-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed