SCHEMBL860353

SCHEMBL860353

O=C(O)c1ccc(O)c(-c2cccc3cc4cc5cc6ccc7cc8cc9cc%10ccccc%10cc9cc8cc7c6cc5cc4cc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ TTR P02766 3/20 0.43
▸ PTPRC P08575 2/20 0.42
▸ ACMSD Q8TDX5 2/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CA6 P23280 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ CA7 P43166 1/20 0.41

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
SCHEMBL745566 1.00 GRIN2D (0.44) GRIN2DGRIN2AGRIN2CPTPN1TTR
SCHEMBL745266 1.00 GRIN2D (0.44) GRIN2DGRIN2AGRIN2CPTPN1TTR
SCHEMBL745518 0.99 GRIN2D (0.43) GRIN2DGRIN2AGRIN2CPTPN1TTR
SCHEMBL742346 0.85 ALDH1A1 (0.42) GRIN2DGRIN2AGRIN2CPTPN1TTR
SCHEMBL742864 0.84 ALDH1A1 (0.41) GRIN2DGRIN2AGRIN2CPTPN1TTR
SCHEMBL3368674 0.82 PTPN1 (0.58) GRIN2DGRIN2AGRIN2CPTPN1MAPT
SCHEMBL7915823 0.81 PLA2G2D (0.50) GRIN2DGRIN2AGRIN2CPTPN1TTR
SCHEMBL11243982 0.80 ESR2 (0.44) MCL1MAPTKDM4EGAAKMT2A
SCHEMBL14120700 0.80 ESR2 (0.44) MCL1MAPTKDM4EGAAKMT2A
SCHEMBL29774152 0.80 GRIN2D (0.60) GRIN2DGRIN2AGRIN2CPTPN1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463654-B1 Compositions and methods for modeling saccharomyces cerevisiae metabolism UNIV CALIFORNIA (US) 2020-06-03 — — EP disclosed
EP-2463654-A1 Compositions and methods for modeling saccharomyces cerevisiae metabolism The Regents of The University of California (US) 2012-06-13 — — EP disclosed
US-8170852-B2 Data structures and methods for modeling Saccharomyces cerevisiae metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-01 — — US disclosed
EP-2434421-A2 Compositions and methods for modeling saccharomyces cerevisiae metabolism The Regents of The University of California (US) 2012-03-28 — — EP disclosed
US-20100280803-A1 Compositions and Methods for Modeling Saccharomyces cerevisiae Metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-11-04 — — US disclosed
US-7751981-B2 Articles of manufacture and methods for modeling Saccharomyces cerevisiae metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-06 — — US disclosed
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