SCHEMBL10716331

SCHEMBL10716331

C=CCCCCCCS(=O)(=O)O.[Zn]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ABCC4 O15439 1/20 0.45
EPHX2 P34913 1/20 0.42
TSHR P16473 2/20 0.41
APP P05067 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
LPAR3 Q9UBY5 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
TRPA1 O75762 2/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL1118367 0.98 MAPT (0.46) MAPTABCC4EPHX2TSHRAPP
SCHEMBL8784927 0.98 MAPT (0.46) MAPTABCC4EPHX2TSHRAPP
SCHEMBL93616 0.98 MAPT (0.46) MAPTABCC4EPHX2TSHRAPP
SCHEMBL3693008 0.98 MAPT (0.46) MAPTABCC4EPHX2TSHRAPP
SCHEMBL3690296 0.98 MAPT (0.46) MAPTABCC4EPHX2TSHRAPP
SCHEMBL23630404 0.98 MAPT (0.46) MAPTABCC4EPHX2TSHRAPP
SCHEMBL3694314 0.98 MAPT (0.46) MAPTABCC4EPHX2TSHRAPP
SCHEMBL8218999 0.98 MAPT (0.46) MAPTABCC4EPHX2TSHRAPP
SCHEMBL3700017 0.98 MAPT (0.46) MAPTABCC4EPHX2TSHRAPP
Fluoride SCHEMBL27896506 0.95 MAPT (0.45) MAPTABCC4EPHX2TSHRAPP

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-H316-H HYDROCARBON DRAG REDUCTION WITH INTERPOLYMER COMPLEXES CONTAINING NOVEL SULFO-OCTENE EXXON RESEARCH AND ENGINEERING CO. (US) 1987-08-04 US disclosed
US-4634542-A METAL HYDROXIDE AND VINYLPYRIDINE POLYMER EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-01-06 US disclosed