SCHEMBL1999729

SCHEMBL1999729

O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.56
PLOD3 O60568 2/20 0.50
PLOD1 Q02809 2/20 0.50
PTPN1 P18031 4/20 0.44
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CES1 P23141 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GSK3B P49841 1/20 0.40
MMP1 P03956 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL10875483 0.91 PTPN1 (0.58) PLOD2PLOD3PLOD1PTPN1MAPT
SCHEMBL4599442 0.91 PLOD2 (0.49) PLOD2PLOD3PLOD1PTPN1MAPT
SCHEMBL6344726 0.91 ERCC5 (0.50) PLOD2PLOD3PLOD1PTPN1MAPT
SCHEMBL2262230 0.91 MEN1 (0.55) PLOD2PLOD3PLOD1PTPN1MAPT
SCHEMBL4600257 0.88 ERCC5 (0.54) PLOD2PLOD3PLOD1PTPN1MAPT
SCHEMBL11946962 0.87 PLOD2 (0.45) PLOD2PLOD3PLOD1PTPN1MAPT
SCHEMBL29596316 0.87 PLOD2 (0.45) PLOD2PLOD3PLOD1PTPN1MAPT
SCHEMBL10876913 0.86 GSK3B (0.51) PLOD2MAPTMEN1KMT2AHPGD
SCHEMBL20690192 0.85 MEN1 (0.53) PLOD2PLOD3PLOD1PTPN1MAPT
SCHEMBL11836186 0.84 MEN1 (0.52) PLOD2PLOD3PLOD1PTPN1MAPT

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-7964022-B2 Method and apparatus for selective capture of gas phase analytes using metal β-diketonate polymers BATTELLE MEMORIAL INSTITUTE (US) 2011-06-21 US disclosed
US-7964028-B2 Method and apparatus for selective capture of gas phase analytes using metal β-diketonate polymers BATTELLE MEMORIAL INSTITUTE (US) 2011-06-21 US disclosed
US-20100203652-A1 Method and apparatus for selective capture of gas phase analytes using metal beta-diketonate polymers BATTELLE MEMORIAL INSTITUTE (US) 2010-08-12 US disclosed
US-20100058924-A1 METHOD AND APPARATUS FOR SELECTIVE CAPTURE OF GAS PHASE ANALYTES USING METAL BETA-DIKETONATE POLYMERS BATTELLE MEMORIAL INSTITUTE (US) 2010-03-11 US disclosed