SCHEMBL4036345

SCHEMBL4036345

CC1=CC[C@H](C(C)(C)S)CC1.O=C(O)CC(S)(S)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
PTPN1 P18031 1/20 0.42
STAT3 P40763 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRNA7 P36544 1/20 0.41
CES2 O00748 3/20 0.38
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL114630 0.81 LMNA (0.66) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL333126 0.81 LMNA (0.66) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL10968270 0.81 LMNA (0.66) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL12521324 0.80 LMNA (0.57) LMNACYP3A4ALOX15PTPN1STAT3
Hydrogen Sulfide SCHEMBL19357598 0.79 LMNA (0.63) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL10930760 0.78 LMNA (0.49) LMNACYP3A4ALOX15PTPN1STAT3
Acetic Acid SCHEMBL918068 0.77 LMNA (0.54) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL20740827 0.75 LMNA (0.62) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL2534645 0.70 LMNA (0.59) LMNACYP3A4ALOX15PTPN1STAT3
SCHEMBL2016669 0.70 LMNA (0.59) LMNACYP3A4ALOX15PTPN1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069456-A1 AMINE STABILIZERS FOR FLUOROOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-17 EP claimed
EP-2069455-A1 TERPENE, TERPENOID, AND FULLERENE STABILIZERS FOR FLUOROOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-17 EP claimed
EP-2069454-A1 EPOXIDE AND FLUORINATED EPOXIDE STABILIZERS FOR FLUOROOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-17 EP claimed
EP-2057248-A2 PHENOL STABILIZERS FOR FLUOROOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-13 EP claimed
WO-2008042066-A1 AMINE STABILIZERS FOR FLUOROOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-04-10 WO claimed
WO-2008027594-A2 PHENOL STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027511-A1 EPOXIDE AND FLUORINATED EPOXIDE STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027519-A1 OXETANE STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2008027514-A1 TERPENE, TERPENOID, AND FULLERENE STABILIZERS FOR FLUOROOLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-06 WO claimed
WO-2007126760-A2 COMPOSITIONS COMPRISING IODOTRIFLUOROMETHANE AND STABILIZERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-11-08 WO claimed