SCHEMBL9489102

SCHEMBL9489102

S=C(SS)N1CC1.S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.61
PHGDH O43175 7/20 0.61
ALDH1A1 P00352 6/20 0.61
FBP1 P09467 2/20 0.61
ALDH2 P05091 2/20 0.61
KDM4A O75164 1/20 0.58
PIN1 Q13526 1/20 0.50
HTT P42858 1/20 0.43
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39

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 0.87 MGLL (0.80) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL22910 0.87 MGLL (0.80) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL10887385 0.85 MGLL (0.76) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL13668385 0.85 MGLL (0.79) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL7177892 0.80
SCHEMBL3271164 0.78 MGLL (1.00) MGLLPHGDHALDH1A1FBP1ALDH2
Bis(Piperidinylthiocarbonyl)Disulfide SCHEMBL139465 0.78 MGLL (1.00) MGLLPHGDHALDH1A1FBP1ALDH2
Bis(Pyrrolidinylthiocarbonyl)Disulfide SCHEMBL2237172 0.75 MGLL (1.00) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL14501830 0.74 MGLL (0.59) MGLLPHGDHALDH1A1FBP1ALDH2
SCHEMBL14340049 0.70 MGLL (0.88) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310599-B1 DYNAMICALLY CURED THERMOPLASTIC OLEFIN POLYMERS (E-76) ADVANCED ELASTOMER SYSTEMS, L.P. (US) 1993-03-03 EP disclosed
US-4851468-A ETHYLENE COPOLYMER, HALOGENATED BUTYL RUBBER, AND POLYCHLOROPRENE BLEND; ELASTOMERS EXXON RESEARCH & ENGINEERING COMPANY (US) 1989-07-25 US disclosed