SCHEMBL5577068

SCHEMBL5577068

O=C(S)CC(O)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.60
MMP13 P45452 6/20 0.60
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
MMP14 P50281 1/20 0.60
DPP4 P27487 1/20 0.59
TRPA1 O75762 2/20 0.51
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CNR2 P34972 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL8333817 0.85 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4745347 0.85 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL687094 0.85 MMP12 (0.80) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6444318 0.81 MMP12 (0.60) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6444313 0.81 MMP12 (0.60) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3095508 0.81 TRPA1 (0.72) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3098659 0.80 MMP12 (0.58) MMP12MMP13MMP2MMP9MMP14
SCHEMBL7056679 0.80 DPP4 (0.82) MMP12MMP13MMP2MMP9MMP14
SCHEMBL31272029 0.80 TRPA1 (0.77) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3098283 0.80 DPP4 (0.82) MMP12MMP13MMP2MMP9MMP14

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-20070027291-A1 Structure and method for producing structure, toner containing structure, image forming method and device using toner CANON KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed