SCHEMBL7246576

SCHEMBL7246576

CC(=O)C12CCCCC1(O)CC1CCCCC1C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
ATP1A3 P13637 1/20 0.31
ATP1B2 P14415 1/20 0.31
ATP1A2 P50993 1/20 0.31
ATP1B3 P54709 1/20 0.31
FXYD2 P54710 1/20 0.31
ATP1A4 Q13733 1/20 0.31
HSD11B1 P28845 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
SCHEMBL7245566 1.00 ATP1A1 (0.31) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7246936 0.88 HSD11B1 (0.31) HSD11B1
SCHEMBL4612158 0.77 NPSR1 (0.33)
SCHEMBL7922196 0.77 ALDH1A1 (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL4612162 0.77 NPSR1 (0.33)
SCHEMBL7246207 0.77 ALDH1A1 (0.37) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7244711 0.75 NPSR1 (0.32)
SCHEMBL7252902 0.75 HSD11B1 (0.30) HSD11B1
SCHEMBL15114371 0.73 SMN1; SMN2 (0.31)
SCHEMBL7250020 0.70 HSD11B1 (0.32) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1211333-C Alicyclic compounds containing hydroxymethyl group, process for producing the same, and polymerizable alicyclic compound DAICCL CHEMICAL IND LTD (JP) 2005-07-20 CN disclosed
US-6576787-B1 Hydroxymethyl-group-containing alicyclic compound and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-10 US disclosed
CN-1293649-A Hydroxymethyl-containing alicyclic compound, process for producing the same, and polymerizable alicyclic compound OAICAL CHEMIAL IND LTD (JP) 2001-05-02 CN disclosed
EP-1070699-A1 ALICYCLIC COMPOUNDS CONTAINING HYDROXYMETHYL GROUP, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZABLE ALICYCLIC COMPOUND Daicel Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed