SCHEMBL1121978

SCHEMBL1121978

CCCCCCCC(=O)Oc1cc2cc(Br)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
GSK3B P49841 1/20 0.43
FLT3 P36888 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
ALOX15 P16050 1/20 0.40
MGLL Q99685 1/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL1122179 0.85 HTR1A (0.41) HTR1AHTR1BPDGFRBPDGFRAALOX15
SCHEMBL1122185 0.83 PDGFRB (0.51) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL29933814 0.81 PDGFRB (0.52) FLT3PDGFRBPDGFRAALOX15KMT2A
SCHEMBL1121835 0.80 CYP1A2 (0.38) GSK3BHTR1AHTR1BALOX15KMT2A
SCHEMBL3381954 0.79 FLT3 (0.48) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL1122030 0.77 ALOX15 (0.53) GSK3BFLT3PDGFRBALOX15
SCHEMBL1121871 0.77 NAAA (0.40) GSK3BFLT3HTR1AHTR1BALOX15
SCHEMBL1122023 0.77 HTR1A (0.41) GSK3BHTR1AHTR1BALOX15KMT2A
SCHEMBL15558909 0.75 ALOX15 (0.62) ALOX15MGLLKMT2ASMN1; SMN2POLM
SCHEMBL15557862 0.75 ALOX15 (0.62) ALOX15MGLLKMT2ASMN1; SMN2POLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4794627-B2 2011-10-19 JP claimed
EP-1931796-B9 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2011-06-08 EP claimed
EP-1931796-B1 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2011-02-09 EP claimed
EP-1931796-A1 DETECTION OF SALMONELLA LACTOSE+ Rambach, Alain (FR) 2008-06-18 EP claimed
WO-2007023185-A1 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2007-03-01 WO claimed
EP-1931796-B9 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2011-06-08 EP disclosed
EP-1931796-B1 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2011-02-09 EP disclosed
EP-1931796-A1 DETECTION OF SALMONELLA LACTOSE+ Rambach, Alain (FR) 2008-06-18 EP disclosed
WO-2007023185-A1 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2007-03-01 WO disclosed