SCHEMBL11515722

SCHEMBL11515722

NCCCCCCCCNCCCCS(=O)(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.62
CA12 O43570 2/20 0.54
F13A1 P00488 2/20 0.54
CA2 P00918 2/20 0.54
CYP1A2 P05177 2/20 0.54
ALOX15 P16050 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
THPO P40225 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
CA1 P00915 1/20 0.54
CA3 P07451 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
MTOR P42345 1/20 0.54

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
SCHEMBL11515195 1.00 APP (0.62) APPCA12F13A1CA2CYP1A2
SCHEMBL11516229 1.00 APP (0.62) APPCA12F13A1CA2CYP1A2
SCHEMBL11517260 0.98 APP (0.65) APPCA12F13A1CA2CYP1A2
SCHEMBL11563954 0.96 APP (0.62) APPCA12F13A1CA2CYP1A2
SCHEMBL11516773 0.96 APP (0.62) APPCA12F13A1CA2CYP1A2
SCHEMBL11515053 0.96 APP (0.62) APPCA12F13A1CA2CYP1A2
SCHEMBL11517230 0.93 APP (0.65) APPCA12F13A1CA2CYP1A2
SCHEMBL11518389 0.93 APP (0.65) APPCA12F13A1CA2CYP1A2
SCHEMBL818333 0.91 APP (0.61) APPCA12F13A1CA2CYP1A2
SCHEMBL1487210 0.91 APP (0.61) APPCA12F13A1CA2CYP1A2

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-4156675-A ANTISTATIC PROPERTIES, ELECTROLYTES, SURFACTANTS NHK SPRING CO., LTD. (JP) 1979-05-29 US disclosed