SCHEMBL1121835

SCHEMBL1121835

CCCCCCCC(=O)Oc1cc2cc(Br)c(Cl)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
GSK3B P49841 1/20 0.38
HPGD P15428 1/20 0.36
NAAA Q02083 2/20 0.36
CA2 P00918 3/20 0.36
ALOX15 P16050 4/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
SQOR Q9Y6N5 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
DGKA P23743 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1122030 0.80 ALOX15 (0.53) GSK3BALOX15
SCHEMBL1121978 0.80 HDAC3 (0.45) GSK3BCA2ALOX15HTR1AHTR1B
SCHEMBL1122023 0.77 HTR1A (0.41) CYP1A2GSK3BHPGDCA2ALOX15
SCHEMBL1121837 0.76 HTR1A (0.43) CYP1A2GSK3BHPGDALOX15HTR1A
SCHEMBL1122185 0.76 PDGFRB (0.51) ALOX15KMT2ASMN1; SMN2
SCHEMBL6142824 0.75 HTR1A (0.42) CYP1A2GSK3BHPGDALOX15HTR1A
SCHEMBL1121982 0.75 ALOX15 (0.45) GSK3BHPGDALOX15HTR1AHTR1B
SCHEMBL1122179 0.75 HTR1A (0.41) CA2ALOX15HTR1AHTR1BDGKA
SCHEMBL1121871 0.75 NAAA (0.40) GSK3BNAAAALOX15HTR1AHTR1B
SCHEMBL1122103 0.74 POLM (0.39) HPGDCA2ALOX15HTR1AHTR1B

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