Zinc Ion

Zinc Ion

SCHEMBL10586397

CCCCSN(SCCCC)C(=O)[O-].CCCCSN(SCCCC)C(=O)[O-].[Zn+2]

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CES1 P23141 7/20 0.37
CES2 O00748 6/20 0.37
GPR84 Q9NQS5 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 1/20 0.32

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
Carbamic Acid SCHEMBL1300843 0.94 NOS3 (0.36) CA1CES1CES2GPR84CA2
Zinc Ion SCHEMBL4816556 0.85 CA1 (0.37) CA1CES1CES2ALDH1A1HPGD
SCHEMBL7623738 0.81 CA1 (0.37) CA1CES1CES2ALDH1A1HPGD
SCHEMBL28204335 0.79 CES1 (0.38) CA1CES1CES2GPR84ALDH1A1
SCHEMBL8853371 0.77 HSD17B10 (0.39) CES1CES2GPR84ALDH1A1GMNN
Zinc Ion SCHEMBL15136365 0.77 FFAR3 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL10822670 0.76 HSD17B10 (0.38) CES1CES2GPR84ALDH1A1GMNN
SCHEMBL8777417 0.76 NOS3 (0.41) CA1CES1CES2ALDH1A1HPGD
SCHEMBL10822669 0.76 ALDH1A1 (0.41) CA1CES1CES2ALDH1A1HPGD
SCHEMBL11294400 0.72 CES2 (0.35) CES1CES2ALDH1A1HPGDGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314843-A1 Additives for lubricating oils, and lubricating oils containing such additives UNION OIL COMPANY OF CALIFORNIA (US) 1989-05-10 EP disclosed