SCHEMBL2534645

SCHEMBL2534645

CC1=CCC([C@@](C)(S)CS)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
STAT3 P40763 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRNA7 P36544 1/20 0.48
PTPN1 P18031 1/20 0.42
CES2 O00748 2/20 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
SCHEMBL2016669 1.00 LMNA (0.59) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL333126 0.82 LMNA (0.66) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL114630 0.82 LMNA (0.66) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL10968270 0.82 LMNA (0.66) LMNACYP3A4ALOX15STAT3MEN1
Hydrogen Sulfide SCHEMBL19357598 0.81 LMNA (0.63) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL31545085 0.78 LMNA (0.70) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL24956789 0.75 LMNA (0.66) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL901351 0.75 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL5170826 0.75 LMNA (0.66) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL980991 0.75 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1

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
US-8961812-B2 Compositions comprising Z-1,2-difluoroethylene and uses thereof E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-24 US disclosed
US-20110252801-A1 COMPOSITIONS COMPRISING Z-1,2-DIFLUOROETHYLENE AND USES THEREOF E.I. DU PONT NEMOURS AND COMPANY (US) 2011-10-20 US disclosed