SCHEMBL11042820

SCHEMBL11042820

CC(=O)OC1[CH]CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CHRM2 P08172 5/20 0.33
CHRM1 P11229 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
NAAA Q02083 1/20 0.33
SLC18A3 Q16572 2/20 0.32
CYP19A1 P11511 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3A P31941 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL1928344 0.98 CHRM2 (0.33) EPHX1CA12CA9CA1CA2
SCHEMBL1930310 0.92
SCHEMBL1928265 0.85
SCHEMBL11414562 0.81 CA12 (0.41) EPHX1CA12CA9CA1CA2
SCHEMBL11414567 0.81 CA12 (0.41) EPHX1CA12CA9CA1CA2
SCHEMBL3674320 0.81 CA12 (0.34) EPHX1CA12CA9CA1CA2
SCHEMBL15750117 0.81 CA12 (0.34) EPHX1CA12CA9CA1CA2
SCHEMBL3674322 0.81 CA12 (0.34) EPHX1CA12CA9CA1CA2
SCHEMBL9013516 0.81 CA12 (0.34) EPHX1CA12CA9CA1CA2
SCHEMBL12054453 0.81 CA12 (0.34) EPHX1CA12CA9CA1CA2

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-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
EP-0061425-A2 Thiazole derivatives, processes for their preparation, medicaments containing them and their use CIBA-GEIGY AG (CH) 1982-09-29 EP disclosed