Zinc Ion

Zinc Ion

SCHEMBL9498802

CC(C)(c1ccccc1)c1ccc2cc(O)c(C(=O)[O-])cc2c1.CC(C)(c1ccccc1)c1ccc2cc(O)c(C(=O)[O-])cc2c1.[Zn+2]

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
NCOA1 Q15788 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
NR3C2 P08235 1/20 0.36

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
SCHEMBL7712882 0.87 ESR1 (0.46) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL9498812 0.86 ESR1 (0.45) ESR1ESR2ALDH1A1CYP3A4CNR1
Zinc Ion SCHEMBL11135745 0.84 ESR1 (0.49) ESR1ESR2ALDH1A1CYP3A4CNR1
Zinc Ion SCHEMBL5964694 0.77 MEN1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
Water SCHEMBL9497906 0.76 MEN1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL10800186 0.74 MEN1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6697934 0.74 MEN1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL9017418 0.74 KDM4E (0.57) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL9808578 0.74 MEN1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL3870643 0.74 KDM4E (0.57) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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
EP-0275107-B1 AN AQUEOUS DEVELOPER DISPERSION FOR A PRESSURE-SENSITIVE RECORDING SHEET AND A PROCESS FOR PRODUCING THE SAME Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-03-31 EP disclosed
US-4950330-A SUPERIOR STORAGE STABILITY AND MATERIAL HANDLING SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1990-08-21 US disclosed
EP-0275107-A2 An aqueous developer dispersion for a pressure-sensitive recording sheet and a process for producing the same Sanko Kaihatsu Kagaku Kenkyusho (JP) 1988-07-20 EP disclosed