SCHEMBL11217455

SCHEMBL11217455

C=C(N(C1CCCCCCC1)C1CCCCCCC1)N(C1CCCCCCC1)C1CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.48
ALDH1A1 P00352 1/20 0.41
ADH1A P07327 5/20 0.35
ADH1C P00326 3/20 0.34
FDPS P14324 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
ADAM17 P78536 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 6/20 0.32
TSHR P16473 1/20 0.32
HSD11B1 P28845 1/20 0.32
GAA P10253 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
SCHEMBL10664308 1.00 PHGDH (0.48) PHGDHALDH1A1ADH1AADH1CFDPS
SCHEMBL11226739 1.00 PHGDH (0.48) PHGDHALDH1A1ADH1AADH1CFDPS
SCHEMBL11223140 1.00 PHGDH (0.48) PHGDHALDH1A1ADH1AADH1CFDPS
SCHEMBL10661364 0.97 PHGDH (0.44) PHGDHALDH1A1ADH1AADH1CFDPS
SCHEMBL11226699 0.94 PHGDH (0.40) PHGDHALDH1A1ADH1AADH1C
SCHEMBL2666160 0.78 PHGDH (0.44) PHGDHALDH1A1ADH1AADH1CFDPS
SCHEMBL1001644 0.72 PHGDH (0.62) PHGDHALDH1A1ADH1AADH1CFDPS
SCHEMBL8179982 0.72 PHGDH (0.44) PHGDHALDH1A1ADH1AADH1CFDPS
SCHEMBL98826 0.71 TSHR (0.41) PHGDHALDH1A1ADH1AADH1CKDM4E
SCHEMBL17710528 0.71 PHGDH (0.48) PHGDHALDH1A1ADH1AADH1CFDPS

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