SCHEMBL11820533

SCHEMBL11820533

S=C(SSCCSCCSSC(=S)N1CCCC1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.62
FBP1 P09467 2/20 0.62
KDM4A O75164 1/20 0.62
PHGDH O43175 6/20 0.60
ALDH1A1 P00352 6/20 0.60
ALDH2 P05091 2/20 0.60
PIN1 Q13526 1/20 0.48
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.41
FAAH O00519 2/20 0.40
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL11821948 0.98 MGLL (0.64) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11827778 0.98 MGLL (0.64) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11825600 0.93 MGLL (0.71) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11830822 0.91 MGLL (0.73) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11818807 0.91 MGLL (0.73) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11834559 0.84 MGLL (0.65) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11824747 0.84 MGLL (0.65) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11819213 0.83 MGLL (0.62) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11831003 0.83 MGLL (0.62) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11821752 0.83 MGLL (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3979369-A DIENE POLYMER MONSANTO COMPANY (US) 1976-09-07 US disclosed