SCHEMBL9770706

SCHEMBL9770706

CCCCCCCCCOC(=S)S.[KH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
NAAA Q02083 1/20 0.48
EPHX1 P07099 1/20 0.45
TSHR P16473 3/20 0.44
LPAR2 Q9HBW0 3/20 0.43
LPAR3 Q9UBY5 3/20 0.43
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL8509940 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL229557 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL3080427 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL11006544 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL15158199 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL2503958 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL6294035 1.00 CA12 (0.57) CA12CA1CA2CA9NAAA
SCHEMBL237262 0.98 CA12 (0.58) CA12CA1CA2CA9NAAA
SCHEMBL664650 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL665183 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043070-A Magnetic solvent extraction BOARD OF CONTROL OF MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 1991-08-27 US disclosed
US-4906382-A Method of magnetizing nonmagnetic materials BOARD OF CONTROL OF MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 1990-03-06 US disclosed
US-4834898-A SURFACTANTS BOARD OF CONTROL OF MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 1989-05-30 US disclosed