SCHEMBL16271124

SCHEMBL16271124

O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2-c2ccccc2)c1.[Cu+2].[Cu+2]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ KMO O15229 1/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ PKLR P30613 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HNF4A P41235 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ BCAT2 O15382 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL16271133 0.79 DHODH (0.49) KMODHODHKDM4EHNF4ARXRA
SCHEMBL30277104 0.73 PDK2 (0.48) ALDH1A1HPGDTDP1L3MBTL1
SCHEMBL8673014 0.72 PTPN1 (0.43) CA2CA4PTPN1PTGER1
SCHEMBL6262453 0.71 HNF4A (0.50) KMODHODHALDH1A1KDM4EHNF4A
SCHEMBL16271137 0.69 CA2 (0.42) CA2CA4DHODH
SCHEMBL8615778 0.66 BCAT2 (0.61) ALDH1A1KDM4EHPGDHNF4ABCAT2
SCHEMBL588151 0.66 CA2 (0.48) CA2CA4
SCHEMBL9121871 0.66 CA2 (0.65) CA2CA4ERCC5FEN1HPGD
Potassium Ion SCHEMBL5684426 0.65 KMO (0.64) CA2CA4KMODHODHERCC5
SCHEMBL5687503 0.65 KMO (0.64) CA2CA4KMODHODHERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8904850-B1 Materials, methods and devices to detect and quantify water vapor concentrations in an atmosphere SANDIA CORPORATION (US) 2014-12-09 — — US claimed
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