SCHEMBL28904089

SCHEMBL28904089

COC(=O)c1cc(OC)cc(C(=O)O)c1.[Co]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
RXRA P19793 1/20 0.49
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
XDH P47989 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FUT7 Q11130 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL56890 0.98 KDM4E (0.55) KDM4EALDH1A1CA1CA2RXRA
SCHEMBL475746 0.90 CA1 (0.61) KDM4EALDH1A1CA1CA2CA12
SCHEMBL7234945 0.88 CA12 (0.60) KDM4EALDH1A1CA1CA2CA12
SCHEMBL9121827 0.88 CA12 (0.60) KDM4EALDH1A1CA1CA2CA12
SCHEMBL39734 0.88 CA1 (0.60) KDM4EALDH1A1CA1CA2RXRA
Methyl Alcohol SCHEMBL28269742 0.86 CA12 (0.58) KDM4EALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL19118500 0.86 CA1 (0.58) KDM4EALDH1A1CA1CA2RXRA
Methyl 3,5-Dimethoxybenzoate SCHEMBL204865 0.86 CA1 (0.61) KDM4EALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL3361588 0.86 CA1 (0.58) KDM4EALDH1A1CA1CA2RXRA
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.83 RXRA (0.64) KDM4EALDH1A1CA1CA2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109627266-B Binuclear cobalt antibacterial material and preparation method thereof 河南工程学院 2020-12-25 CN claimed
CN-109627266-B Binuclear cobalt antibacterial material and preparation method thereof 河南工程学院 2020-12-25 CN disclosed
CN-109627266-B Binuclear cobalt antibacterial material and preparation method thereof 河南工程学院 2020-12-25 CN disclosed