Zinc Ion

Zinc Ion

SCHEMBL1589972

CC(C)c1ccc(S(=O)(=O)[O-])cc1.CC(C)c1ccc(S(=O)(=O)[O-])cc1.[Zn+2]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NR1I2 O75469 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
TYR P14679 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 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
SCHEMBL1589913 0.95 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL67964 0.95 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
Potassium Ion SCHEMBL338736 0.95 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL5153019 0.95 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
Sulfuric Acid SCHEMBL8103454 0.93 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL8406672 0.93 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4EGAA
Tetramethylammonium Ion SCHEMBL7046620 0.91 ALDH1A1 (0.47) ALDH1A1LMNAMAPTKDM4EGAA
Hydrogen Peroxide SCHEMBL11036237 0.91 LMNA (0.47) ALDH1A1LMNAMAPTKDM4EGAA
Sulfuric Acid SCHEMBL8078542 0.89 LMNA (0.46) ALDH1A1LMNAMAPTKDM4EGAA
Potassium Ion SCHEMBL9548465 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491079-B1 THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & CO (US) 2016-07-20 EP disclosed
EP-2491079-A1 THERMOPLASTIC POLYMER COMPOSITION Milliken & Company (US) 2012-08-29 EP disclosed
US-8198351-B2 Thermoplastic polymer composition MILLIKEN & COMPANY (US) 2012-06-12 US disclosed
WO-2011050042-A1 THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & COMPANY (US) 2011-04-28 WO disclosed
US-20110092625-A1 THERMOPLASTIC POLYMER COMPOSITION MILLKEN & COMPANY 2011-04-21 US disclosed