SCHEMBL9871000

SCHEMBL9871000

CCCCCC(=S)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.47
MGLL Q99685 3/20 0.46
PDK1 Q15118 2/20 0.45
PDK2 Q15119 2/20 0.45
PDK3 Q15120 2/20 0.45
FAAH O00519 2/20 0.45
PHGDH O43175 1/20 0.45
ALDH2 P05091 1/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL4288265 0.98 ALDH1A1 (0.49) HTTSMN1; SMN2ALDH1A1LMNAMGLL
SCHEMBL12702680 0.98 ALDH1A1 (0.49) HTTSMN1; SMN2ALDH1A1LMNAMGLL
SCHEMBL3608245 0.83 SMN1; SMN2 (0.51) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL11543689 0.83 HTT (0.47) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL11544900 0.83 HTT (0.47) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL11543554 0.80 PAOX (0.51) HTTSMN1; SMN2ALDH1A1LMNAMGLL
SCHEMBL6681364 0.78 HTT (0.51) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL11228005 0.77 MGLL (0.54) HTTSMN1; SMN2ALDH1A1MGLLPDK1
SCHEMBL2718359 0.77 L3MBTL1 (0.69) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL8972353 0.76 L3MBTL1 (0.67) SMN1; SMN2ALDH1A1LMNAPOLBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP claimed
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