SCHEMBL13745109

SCHEMBL13745109

CC(OC1CCCCC1)OC1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.31
SHBG P04278 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL2811915 0.86 ACHE (0.38) ACHESHBGCA12CA1CA2
SCHEMBL408523 0.83 ACHE (0.34) ACHE
SCHEMBL12812195 0.77 ACHE (0.33) ACHECA12CA1CA2CA9
SCHEMBL11945788 0.77 LMNA (0.50) SHBG
SCHEMBL18031544 0.77 SHBG (0.41) TSHRSHBG
SCHEMBL11945786 0.77 SHBG (0.41) TSHRSHBG
SCHEMBL11945787 0.77 SHBG (0.41) TSHRSHBG
SCHEMBL9150285 0.75 SHBG (0.34) TSHRSHBG
SCHEMBL11876200 0.75 ACHE (0.34) ACHECA1CA2
SCHEMBL11876557 0.75 ACHE (0.34) ACHECA1CA2

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-7569654-B2 Epoxy resin composition, process for producing epoxy resin, novel epoxy resin, novel phenol resin DIC CORPORATION (JP) 2009-08-04 US disclosed