SCHEMBL13668385

SCHEMBL13668385

S=C(SSSSC(=S)N1CCCC1)N1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.79
FBP1 P09467 2/20 0.79
KDM4A O75164 1/20 0.79
PHGDH O43175 7/20 0.75
ALDH1A1 P00352 5/20 0.75
ALDH2 P05091 2/20 0.75
PIN1 Q13526 1/20 0.59
PDK1 Q15118 2/20 0.52
PDK2 Q15119 2/20 0.52
PDK3 Q15120 2/20 0.52
HTT P42858 1/20 0.48
FAAH O00519 2/20 0.48
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL10976857 0.97 MGLL (0.80) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL22910 0.97 MGLL (0.80) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL10887385 0.95 MGLL (0.76) MGLLFBP1KDM4APHGDHALDH1A1
Bis(Pyrrolidinylthiocarbonyl)Disulfide SCHEMBL2237172 0.88 MGLL (1.00) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL3271164 0.86 MGLL (1.00) MGLLFBP1KDM4APHGDHALDH1A1
Bis(Piperidinylthiocarbonyl)Disulfide SCHEMBL139465 0.86 MGLL (1.00) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL9489102 0.85 MGLL (0.61) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL14501830 0.83 MGLL (0.59) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL14340049 0.82 MGLL (0.88) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11820140 0.79 MGLL (0.71) MGLLFBP1KDM4APHGDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258988-A1 Composition Comprising Sulfurized Particles TEIJIN ARAMID B.V. (NL) 2009-10-15 US disclosed
US-20090258988-A1 Composition Comprising Sulfurized Particles TEIJIN ARAMID B.V. (NL) 2009-10-15 US disclosed
US-20080135148-A1 Method for Enhancing Rubber Properties by Using Bunte Salt-Treated Fiber TEIJIN TWARON B.V. (NL) 2008-06-12 US disclosed
US-20080135148-A1 Method for Enhancing Rubber Properties by Using Bunte Salt-Treated Fiber TEIJIN TWARON B.V. (NL) 2008-06-12 US disclosed