SCHEMBL11818807

SCHEMBL11818807

S=C(SSCCSSC(=S)N1CCCCCC1)N1CCCCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.73
PHGDH O43175 6/20 0.73
ALDH1A1 P00352 6/20 0.73
FBP1 P09467 2/20 0.73
ALDH2 P05091 2/20 0.73
KDM4A O75164 1/20 0.68
PIN1 Q13526 1/20 0.58
HTT P42858 1/20 0.48
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
FAAH O00519 2/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL11830822 1.00 MGLL (0.73) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL11825600 0.98 MGLL (0.71) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL11827778 0.94 MGLL (0.64) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL11821948 0.94 MGLL (0.64) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL11820533 0.91 MGLL (0.62) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL11825344 0.91 MGLL (0.67) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL11836480 0.91 MGLL (0.67) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL11825448 0.91 MGLL (0.67) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL11821490 0.91 MGLL (0.67) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL11823892 0.89 MGLL (0.64) MGLLPHGDHALDH1A1FBP1ALDH2

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