SCHEMBL8744937

SCHEMBL8744937

CCCCCC(=S)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
DGKA P23743 1/20 0.41
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
FAAH O00519 2/20 0.40
AKR1B1 P15121 1/20 0.39
PAM P19021 2/20 0.38
GPR84 Q9NQS5 2/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
TLR2 O60603 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL11328950 0.98 DGKA (0.45) CA12CA1CA2CA9DGKA
SCHEMBL10504384 0.98 DGKA (0.45) CA12CA1CA2CA9DGKA
SCHEMBL7743742 0.98 DGKA (0.45) CA12CA1CA2CA9DGKA
SCHEMBL10502706 0.98 DGKA (0.45) CA12CA1CA2CA9DGKA
SCHEMBL10502988 0.98 DGKA (0.45) CA12CA1CA2CA9DGKA
SCHEMBL7747713 0.98 DGKA (0.45) CA12CA1CA2CA9DGKA
SCHEMBL10452190 0.98 DGKA (0.45) CA12CA1CA2CA9DGKA
SCHEMBL6832101 0.98 DGKA (0.45) CA12CA1CA2CA9DGKA
SCHEMBL10890938 0.92
SCHEMBL14341642 0.92 CA12 (0.46) CA12CA1CA2CA9DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102639568-B Functionalized polymers and methods for their manufacture BRIDGESTONE CO.,LTD. (JP) 2014-10-22 CN disclosed
CN-103562237-A Polymers functionalized with a carboxylic or thiocarboxylic ester containing a silylated amino group BRIDGESTONE CORP 2014-02-05 CN disclosed
EP-0753341-B1 Use of hydrofluorocarbon thiolesters in emulsions, cosmetic or dermatalogical applications OREAL (FR) 1997-07-23 EP disclosed
EP-0753341-A1 Use of hydrofluorocarbon thiolesters in emulsions, cosmetic or dermatalogical applications L'OREAL (FR) 1997-01-15 EP disclosed