SCHEMBL600333

SCHEMBL600333

O=C(c1ccccc1)c1ccc(C(=O)O)c(N2C(=O)CCC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.51
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.46
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 2/20 0.44
SRD5A2 P31213 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 4/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL30768131 1.00 APEX1 (0.51) APEX1GAAKDM4EPOLBCDC25A
SCHEMBL6512006 0.78 AKR1C3 (0.51) APEX1GAAKDM4EPOLBCDC25B
SCHEMBL9262225 0.77 GAA (0.55) APEX1GAAPOLBCA12CA1
SCHEMBL6887707 0.76 CA12 (0.48) GAAPOLBHSD17B10CA12CA1
SCHEMBL12261669 0.76 CA12 (0.70) POLBHSD17B10CA12CA1CA9
SCHEMBL317703 0.75 KEAP1 (0.43) APEX1GAAKDM4EHSD17B10CA12
SCHEMBL317626 0.75 CA12 (0.42) GAAKDM4ECA12CA1CA9
SCHEMBL31653832 0.75 KEAP1 (0.43) APEX1GAAKDM4EHSD17B10CA12
SCHEMBL8438572 0.75 ATM (0.47) APEX1TDP1L3MBTL1ATMALDH1A1
SCHEMBL8824296 0.74 CYP19A1 (0.43) APEX1GAACA12CA1CA9

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
US-8323379-B2 Devices, systems and methods for reducing the concentration of a chemical entity in fluids University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2012-12-04 US disclosed
US-20120040429-A1 DEVICES, SYSTEMS AND METHODS FOR REDUCING THE CONCENTRATION OF A CHEMICAL ENTITY IN FLUIDS PITTSBURGH, UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-02-16 US disclosed
US-8043411-B2 Devices, systems and methods for reducing the concentration of a chemical entity in fluids UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-10-25 US disclosed
US-20100258116-A1 DEVICES, SYSTEMS AND METHODS FOR REDUCING THE CONCENTRATION OF A CHEMICAL ENTITY IN FLUIDS PITTSBURGH, UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-10-14 US disclosed
US-7763097-B2 Devices, systems and methods for reducing the concentration of a chemical entity in fluids University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2010-07-27 US disclosed
US-20080014622-A1 Devices, systems and methods for reducing the concentration of a chemical entity in fluids UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM IF HIGHER EDUCATION 2008-01-17 US disclosed
WO-2007146162-A2 DEVICES, SYSTEMS AND METHODS FOR REDUCING THE CONCENTRATION OF A CHEMICAL ENTITY IN FLUIDS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-12-21 WO disclosed
US-5965106-A ADMINISTERING TARGETING MOIETY COUPLED TO AFFINITY COMPONENT, WHEREIN TARGETING MOIETY HAS AFFINITY FOR BINDING SITES IN TARGET AREA, AND BINDING PARTNER TO AFFINITY COMPONENT COUPLED TO FUNCTIONAL MOIETY TO LOCALIZE FUNCTIONAL MOIETY IN TARGET PERIMMUNE HOLDINGS, INC. (US) 1999-10-12 US disclosed