SCHEMBL9869673

SCHEMBL9869673

CCCCSC(=S)OCCCCOCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
LPAR2 Q9HBW0 6/20 0.32
LPAR3 Q9UBY5 6/20 0.32
NAAA Q02083 1/20 0.32
TSHR P16473 1/20 0.32
LPAR6 P43657 3/20 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
SCHEMBL9870711 0.91 ALDH1A1 (0.39) CA12CA1CA2CA9NOS3
SCHEMBL9870493 0.89 ALDH1A1 (0.38) CA12CA1CA2CA9NOS3
SCHEMBL6053634 0.87 CA12 (0.43) CA12CA1CA2CA9NOS3
SCHEMBL148184 0.85 CA12 (0.42) CA12CA1CA2CA9NOS3
SCHEMBL79082 0.85 CA12 (0.42) CA12CA1CA2CA9NOS3
SCHEMBL31664866 0.85 CA12 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL31257889 0.85 CA12 (0.42) CA12CA1CA2CA9NOS3
SCHEMBL1618010 0.85 CA12 (0.42) CA12CA1CA2CA9NOS3
SCHEMBL28638220 0.85 CA12 (0.42) CA12CA1CA2CA9NOS3
Ammonia Solution, Strong SCHEMBL27696161 0.85 CA12 (0.42) CA12CA1CA2CA9NOS3

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