SCHEMBL5074856

SCHEMBL5074856

O/N=C\c1c(O)cccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 5/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 3/20 0.41
EGFR P00533 2/20 0.41
LMNA P02545 2/20 0.41
FYN P06241 2/20 0.41
MMP9 P14780 2/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL15677707 1.00 KDM4E (0.47) KDM4ECA2CA12CA1CA9
SCHEMBL5074857 1.00 KDM4E (0.47) KDM4ECA2CA12CA1CA9
SCHEMBL6824604 0.84 TSHR (0.46) KDM4ECA2CA12CA1CA9
SCHEMBL27108052 0.84 ATM (0.46) KDM4ECA2CA12CA1CA9
SCHEMBL6824608 0.84 TSHR (0.46) KDM4ECA2CA12CA1CA9
SCHEMBL31747007 0.84 ATM (0.46) KDM4ECA2CA12CA1CA9
SCHEMBL4889872 0.80 ALDH1A1 (0.52) KDM4ECA2CA12CA1CA9
SCHEMBL16653811 0.80 KDM4E (0.38) KDM4ECA2CA12CA1CA9
SCHEMBL16653809 0.80 KDM4E (0.38) KDM4ECA2CA12CA1CA9
SCHEMBL15677702 0.80 KDM4E (0.54) KDM4ECA2CA12CA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345978-B1 AQUEOUS MIXED PMDI/PHENOLIC RESIN BINDERS FOR THE PRODUCTION OF WOOD COMPOSITE PRODUCTS BAYER CORP (US) 2008-07-02 EP disclosed
EP-1242495-B1 BLOCKED POLYISOCYANATES CONTAINING PHENOLIC GROUPS BAYER AG (US) 2003-10-29 EP disclosed
EP-1345978-A1 AQUEOUS MIXED PMDI/PHENOLIC RESIN BINDERS FOR THE PRODUCTION OF WOOD COMPOSITE PRODUCTS Bayer Corporation (US) 2003-09-24 EP disclosed
EP-1242495-A1 BLOCKED POLYISOCYANATES CONTAINING PHENOLIC GROUPS Bayer Corporation (US) 2002-09-25 EP disclosed
US-6416696-B1 ADDUCT OF POLYMETHYLENE POLYPHENYLISOCYANATE BLOCKED WITH AN HYDROXY BENZALDOXIME OR A BENZOPHENONE OXIME; STORAGE STABLE, ONE COMPONENT BINDER SYSTEM; AVOIDING HIGHLY VISCOUS INTERMEDIATES BAYER CORPORATION 2002-07-09 US disclosed
WO-2002050152-A1 AQUEOUS MIXED PMDI/PHENOLIC RESIN BINDERS FOR THE PRODUCTION OF WOOD COMPOSITE PRODUCTS BAYER CORPORATION (US) 2002-06-27 WO disclosed
US-6291578-B1 USE AS HARDENERS IN TWO-COMPONENT LACQUERS, BINDERS AND/OR ADHESIVE FORMULATIONS BAYER CORPORATION 2001-09-18 US disclosed
WO-2001044341-A1 BLOCKED POLYISOCYANATES CONTAINING PHENOLIC GROUPS BAYER CORPORATION (US) 2001-06-21 WO disclosed