SCHEMBL16616577

SCHEMBL16616577

Nc1c(O)cccc1C(=O)CC(N)C(=O)O.Nc1c(O)cccc1C(=O)C[C@H](N)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
HIF1A Q16665 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
G6PD P11413 1/20 0.56
CASP7 P55210 1/20 0.56
CASP6 P55212 1/20 0.56
KMO O15229 3/20 0.43
KYNU Q16719 1/20 0.41
PTGS1 P23219 2/20 0.40
SLC7A5 Q01650 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
XIAP P98170 1/20 0.40
CASR P41180 1/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL180582 1.00 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL29934345 1.00 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL17641540 1.00 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL30973707 1.00 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL134058 1.00 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL29375641 1.00 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL29352838 1.00 KDM4E (1.00) KDM4EHIF1ATDP1G6PDCASP7
Water SCHEMBL8081334 0.98 KDM4E (0.97) KDM4EHIF1ATDP1G6PDCASP7
Kynurenine SCHEMBL6932225 0.87 KDM4E (0.77) KDM4EHIF1ATDP1G6PDCASP7
SCHEMBL19260994 0.86 KDM4E (0.75) KDM4EHIF1ATDP1G6PDCASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9511378-B2 Collector compositions and methods for making and using same GEORGIA-PACIFIC CHEMICALS LLC (US) 2016-12-06 US disclosed
US-20150096925-A1 COLLECTOR COMPOSITIONS AND METHODS FOR MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2015-04-09 US disclosed