SCHEMBL9494580

SCHEMBL9494580

CC(C)(C)OC(=O)c1cccc(C(=O)OC(=N)CCC(=O)OC(=O)c2cccc(C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.45
F2 P00734 8/20 0.37
TMPRSS6 Q8IU80 4/20 0.37
STAT3 P40763 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CASR P41180 2/20 0.33
SRD5A1 P18405 1/20 0.33

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
SCHEMBL110296 0.79 SLC7A5 (0.58) SLC7A5STAT3GABRA1GABRG2GABRB3
SCHEMBL5047980 0.78 LOXL2 (0.33) LOXL2
SCHEMBL6754862 0.78 MAPK1 (0.46) F2
SCHEMBL28350987 0.77 SLC7A5 (0.56) SLC7A5STAT3GABRA1GABRG2GABRB3
Water SCHEMBL28897664 0.77 SLC7A5 (0.56) SLC7A5STAT3GABRA1GABRG2GABRB3
Hydrogen Peroxide SCHEMBL27146001 0.77 SLC7A5 (0.60) SLC7A5F2STAT3GABRA1GABRG2
SCHEMBL4901667 0.75 SLC7A5 (0.52) SLC7A5F2TMPRSS6STAT3
Adipic Acid SCHEMBL27893785 0.74 SLC7A5 (0.55) SLC7A5F2STAT3GABRA1GABRG2
SCHEMBL1839768 0.74 GAA (0.36) F2TMPRSS6
SCHEMBL40750 0.73 SLC7A5 (0.56) SLC7A5STAT3ABCB1ABCG2CA12

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-5185433-A Cross-linking protein compositions having two or more identical binding sites CENTOCOR, INC. (US) 1993-02-09 US disclosed
US-5144043-A Coupling protein or peptide to radionucleotide; labeling antibodies CENTOCOR (US) 1992-09-01 US disclosed