SCHEMBL9792149

SCHEMBL9792149

CCCCC(CC)CN(CC(CC)CCCC)C(=N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 2/20 0.34
ADH1A P07327 2/20 0.33
ADH1C P00326 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11406309 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRADH1AADH1C
SCHEMBL11512656 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRCA2ADH1A
SCHEMBL4375593 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRCA2ADH1A
SCHEMBL9792143 0.77 ADH1A (0.37) ALDH1A1TSHRCA2ADH1AADH1C
SCHEMBL9792159 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5764373 0.74 ADH1A (0.41) ALDH1A1CYP3A4TSHRADH1AADH1C
SCHEMBL9306411 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRCA2TDP1
SCHEMBL10707832 0.71 ADH1A (0.38) ALDH1A1CYP3A4TSHRADH1AADH1C
SCHEMBL9792164 0.70 USP2 (0.45) ALDH1A1CYP3A4TSHRCA2TDP1
SCHEMBL17449155 0.70 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRCA2ADH1A

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