SCHEMBL11226699

SCHEMBL11226699

C=C(N(C1CCC1)C1CCC1)N(C1CCC1)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.40
ALDH1A1 P00352 1/20 0.34
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30

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
SCHEMBL10661364 0.97 PHGDH (0.44) PHGDHALDH1A1ADH1CADH1A
SCHEMBL11217455 0.94 PHGDH (0.48) PHGDHALDH1A1ADH1CADH1A
SCHEMBL11223140 0.94 PHGDH (0.48) PHGDHALDH1A1ADH1CADH1A
SCHEMBL10664308 0.94 PHGDH (0.48) PHGDHALDH1A1ADH1CADH1A
SCHEMBL11226739 0.94 PHGDH (0.48) PHGDHALDH1A1ADH1CADH1A
SCHEMBL2666160 0.71 PHGDH (0.44) PHGDHALDH1A1ADH1CADH1A
SCHEMBL17710576 0.67 PHGDH (0.40) PHGDHALDH1A1ADH1CADH1A
SCHEMBL1001644 0.65 PHGDH (0.62) PHGDHALDH1A1ADH1CADH1A
SCHEMBL8179982 0.65 PHGDH (0.44) PHGDHALDH1A1ADH1CADH1A
SCHEMBL3912450 0.65 PHGDH (0.44) PHGDHALDH1A1ADH1CADH1A

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-4342841-A Polyamide polyurethane prepared by reaction of polyisocyanate with a 1,1-diamino ethylene THE UPJOHN COMPANY (US) 1982-08-03 US disclosed
US-4338428-A Novel polyamides from ketene-aminals THE UPJOHN COMPANY (US) 1982-07-06 US disclosed