SCHEMBL9871145

SCHEMBL9871145

CCCCCCCCSC(=S)OCCOC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
DGKA P23743 1/20 0.36
LPAR3 Q9UBY5 6/20 0.32
LPAR2 Q9HBW0 5/20 0.32
LPAR1 Q92633 2/20 0.32
NAAA Q02083 1/20 0.32
CES2 O00748 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9869827 0.93 NOS3 (0.36) ACHECA12CA1CA2CA9
SCHEMBL11171248 0.87 CA12 (0.52) ACHECA12CA1CA2CA9
SCHEMBL20817910 0.87 CA12 (0.52) ACHECA12CA1CA2CA9
SCHEMBL29110525 0.85 CA12 (0.50) ACHECA12CA1CA2CA9
SCHEMBL21712505 0.85 CA12 (0.50) ACHECA12CA1CA2CA9
SCHEMBL21712503 0.85 CA12 (0.50) ACHECA12CA1CA2CA9
SCHEMBL21712502 0.85 CA12 (0.50) ACHECA12CA1CA2CA9
SCHEMBL21712501 0.85 CA12 (0.50) ACHECA12CA1CA2CA9
SCHEMBL21712509 0.85 CA12 (0.50) ACHECA12CA1CA2CA9
SCHEMBL19376330 0.85 CA12 (0.50) ACHECA12CA1CA2CA9

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-5026492-A Synergistic; improved wear resistance in internal combustion engines EXXON RESEARCH & ENGINEERING COMPANY (US) 1991-06-25 US disclosed