SCHEMBL11569028

SCHEMBL11569028

CN(C)SC(=S)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.63
MGLL Q99685 3/20 0.53
FAAH O00519 1/20 0.53
ALDH1A1 P00352 4/20 0.37
ADH1C P00326 2/20 0.34
ADH1A P07327 2/20 0.34
POLB P06746 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
GAA P10253 2/20 0.30
TSHR P16473 1/20 0.30
S1PR3 Q99500 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9871978 0.78 PHGDH (0.68) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL8468236 0.78 PHGDH (1.00) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL11591673 0.74 PHGDH (0.68) PHGDHMGLLFAAHALDH1A1GAA
SCHEMBL1001644 0.70 PHGDH (0.62) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL8467448 0.70 MGLL (1.00) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL9666957 0.70 PHGDH (0.57) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL6830758 0.69 PHGDH (0.80) PHGDHMGLLFAAHALDH1A1
SCHEMBL9871394 0.69 PHGDH (0.61) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL1426473 0.69 PHGDH (0.61) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL10782089 0.69 PHGDH (0.54) PHGDHMGLLFAAHALDH1A1ADH1C

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-0004711-A2 Process for the cross-linking of polymers Vulnax International Limited (GB) 1979-10-17 EP disclosed