SCHEMBL9871978

SCHEMBL9871978

CSC(=S)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.68
MGLL Q99685 3/20 0.52
FAAH O00519 1/20 0.52
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.38
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
S1PR3 Q99500 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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
SCHEMBL8468236 0.81 PHGDH (1.00) PHGDHMGLLFAAHALDH1A1HTT
SCHEMBL11569028 0.78 PHGDH (0.63) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL11591673 0.77 PHGDH (0.68) PHGDHMGLLFAAHALDH1A1LMNA
SCHEMBL1001644 0.73 PHGDH (0.62) PHGDHMGLLFAAHALDH1A1HTT
SCHEMBL6830758 0.72 PHGDH (0.80) PHGDHMGLLFAAHALDH1A1
SCHEMBL9871394 0.72 PHGDH (0.61) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL1426473 0.72 PHGDH (0.61) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL27590680 0.71 PHGDH (0.60) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL27326575 0.71 PHGDH (0.60) PHGDHMGLLFAAHALDH1A1ADH1C
SCHEMBL3072501 0.70 PHGDH (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed