SCHEMBL9792143

SCHEMBL9792143

CCCCN(CCCC)C(=N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.37
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
ADH1C P00326 2/20 0.35
CA2 P00918 1/20 0.35
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PHGDH O43175 1/20 0.33
ALDH2 P05091 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
TSHR P16473 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MMP1 P03956 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
SCHEMBL1707670 0.84 ADH1A (0.36) ADH1ATHRATHRBCYP1A2ADH1C
SCHEMBL5764373 0.83 ADH1A (0.41) ADH1ACYP1A2ADH1CALDH1A1PHGDH
SCHEMBL9792149 0.77 ALDH1A1 (0.36) ADH1AADH1CCA2ALDH1A1TSHR
SCHEMBL19570761 0.74 L3MBTL1 (0.40) ADH1ATHRATHRBADH1CS1PR1
SCHEMBL2448642 0.73 CA12 (0.48) CA12CA1CA9CA2ALDH1A1
SCHEMBL15603424 0.73 CA12 (0.48) CA12CA1CA9CA2ALDH1A1
SCHEMBL17710535 0.73 PHGDH (0.48) ADH1AADH1CALDH1A1PHGDHS1PR1
SCHEMBL17710560 0.73 PHGDH (0.48) ADH1AADH1CALDH1A1PHGDHS1PR1
SCHEMBL17710517 0.73 PHGDH (0.48) ADH1AADH1CALDH1A1PHGDHS1PR1
SCHEMBL17710528 0.73 PHGDH (0.48) ADH1AADH1CALDH1A1PHGDHS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028259-A Extracting Gold And Silver From Aqueous Cyanide Solutions Using Guanidine Reagents HENKEL RESEARCH CORPORATION (US) 1991-07-02 US claimed
US-5028259-A Extracting Gold And Silver From Aqueous Cyanide Solutions Using Guanidine Reagents HENKEL RESEARCH CORPORATION (US) 1991-07-02 US disclosed