SCHEMBL769620

SCHEMBL769620

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nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
CA2 P00918 4/20 0.34
CA1 P00915 3/20 0.34
TP53 P04637 1/20 0.33
PGD P52209 1/20 0.33
LAP3 P28838 3/20 0.32
MME P08473 2/20 0.31
ECE1 P42892 1/20 0.31
CA12 O43570 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30
PEPD P12955 1/20 0.30

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
SCHEMBL2510065 1.00 PGK1 (0.35) PGK1PGK2CA2CA1TP53
SCHEMBL15373625 0.74 TP53 (0.39) CA2CA1TP53MMECA12
SCHEMBL9340208 0.73
SCHEMBL42674 0.72 TP53 (0.38) CA2CA1TP53LAP3MME
SCHEMBL42677 0.72 TP53 (0.38) CA2CA1TP53LAP3MME
SCHEMBL27513788 0.71
SCHEMBL10722578 0.69 TP53 (0.35) CA2CA1TP53MMEMMP1
SCHEMBL27906144 0.69 ALDH1A1 (0.36) CA2CA1TP53MME
SCHEMBL769622 0.69 TP53 (0.35) CA2CA1TP53MME
SCHEMBL2985648 0.68 PGK1 (0.35) PGK1PGK2CA2CA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 US disclosed
US-8168417-B2 Bacillus licheniformis chromosome NOVOZYMES A/S (DK) 2012-05-01 US disclosed
US-20120070881-A1 Bacillus licheniformis chromosome NOVOZYMES A/S (DK) 2012-03-22 US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 US disclosed
US-20110086407-A1 Bacillus licheniformis chromosome NOVOZYMES A/S (DK) 2011-04-14 US disclosed
US-7863032-B2 Bacillus licheniformis chromosome-encoded endoglucanase NOVOZYMES, INC. (US) 2011-01-04 US disclosed
US-20090275104-A1 Bacillus licheniformis chromosone NOVOZYMES A/S (DK) 2009-11-05 US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 WO disclosed
US-7494798-B2 Bacillus licheniformis chromosome NOVOZYMES, INC. (US) 2009-02-24 US disclosed
US-20080050774-A1 Computer-based system for monitoring differential expression; host cells NOVOZYMES A/S (DK) 2008-02-28 US disclosed
WO-2002068622-A2 CRYSTAL STRUCTURE INFORMATION OF PNP SYNTHASE AND THE USE THEREOF MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN (DE) 2002-09-06 WO disclosed