Zinc Ion

Zinc Ion

SCHEMBL19987945

CC(C)(C)c1cccc(C(=O)[O-])c1.CC(C)(C)c1cccc(C(=O)[O-])c1.[Zn+2]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.61
▸ HDAC8 Q9BY41 4/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ RXRA P19793 2/20 0.49
▸ RXRB P28702 2/20 0.49
▸ HDAC4 P56524 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ CES2 O00748 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ CYP26A1 O43174 1/20 0.43
▸ CYP26B1 Q9NR63 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL179538 0.80 RXRA (0.66) ACHEHDAC8HDAC6RXRARXRB
SCHEMBL7771557 0.80 ACHE (0.65) ACHEHDAC8HDAC6RXRARXRB
SCHEMBL309330 0.80 ACHE (0.65) ACHEHDAC8HDAC6RXRARXRB
SCHEMBL2173132 0.80 ACHE (0.65) ACHEHDAC8HDAC6RXRARXRB
Isophthalic Acid SCHEMBL3679236 0.79 CA2 (0.59) HDAC8HDAC6CES2CA2CA4
Isophthalic Acid SCHEMBL8621378 0.79 CA2 (0.59) HDAC8HDAC6CES2CA2CA4
SCHEMBL19987946 0.78 RXRA (0.64) ACHEHDAC8HDAC6RXRARXRB
SCHEMBL179447 0.78 ACHE (0.62) ACHEHDAC8HDAC6RXRARXRB
SCHEMBL19726911 0.78 ACHE (0.62) ACHEHDAC8HDAC6RXRARXRB
SCHEMBL1360237 0.78 ACHE (0.62) ACHEHDAC8HDAC6RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10563041-B2 Rubber composition for coating steel cord and tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2020-02-18 — — US disclosed
EP-3299414-B1 RUBBER COMPOSITION FOR COATING STEEL CORD AND TIRE SUMITOMO RUBBER IND (JP) 2019-06-19 — — EP disclosed
US-20180086897-A1 RUBBER COMPOSITION FOR COATING STEEL CORD AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2018-03-29 — — US disclosed
EP-3299414-A1 RUBBER COMPOSITION FOR COATING STEEL CORD AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2018-03-28 — — EP disclosed
Send feedback