SCHEMBL2579535

SCHEMBL2579535

CC(=O)c1cccc(-c2cccc(C(=O)O)c2Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.49
TSHR P16473 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
AKR1C3 P42330 5/20 0.43
AKR1C2 P52895 5/20 0.43
DDT P30046 1/20 0.43
SERPINE1 P05121 2/20 0.43
UCHL5 Q9Y5K5 1/20 0.43
FOLH1 Q04609 1/20 0.43
HNF4A P41235 1/20 0.42
AKR1B10 O60218 2/20 0.42
AKR1B1 P15121 2/20 0.42
AKR1C4 P17516 2/20 0.42
AKR1C1 Q04828 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
SUCNR1 Q9BXA5 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
SCHEMBL6792767 0.86 UCHL5 (0.54) EIF4EAKR1C3AKR1C2DDTUCHL5
SCHEMBL29952530 0.86 UCHL5 (0.54) EIF4EAKR1C3AKR1C2DDTUCHL5
SCHEMBL2574179 0.84 MAPT (0.50) EIF4ETSHRAKR1C3AKR1C2HNF4A
SCHEMBL2556585 0.83 NR1H4 (0.46) EIF4EAKR1C3AKR1C2DDTUCHL5
SCHEMBL2556173 0.81 SERPINE1 (0.51) EIF4ETSHRRXRARXRBAKR1C3
SCHEMBL2371284 0.80 HNF4A (0.63) TSHRAKR1C3AKR1C2HNF4AAKR1C1
SCHEMBL2553756 0.79 TNFRSF1A (0.46) EIF4EAKR1C3AKR1C2DDTUCHL5
SCHEMBL2559218 0.79 FOLH1 (0.48) EIF4ERXRARXRBAKR1C3AKR1C2
SCHEMBL1449798 0.79 MAPT (0.53) AKR1C3AKR1C2NR1H4
SCHEMBL18936558 0.78 DCLRE1B (0.49) TSHRHNF4A

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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed