SCHEMBL8008885

SCHEMBL8008885

CC(=O)OCC1CCC(=O)C1CSCC(O)CO

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL7720948 1.00 AKR1C4 (0.32) AKR1C4AKR1C3AKR1C2
SCHEMBL7720944 1.00 AKR1C4 (0.32) AKR1C4AKR1C3AKR1C2
SCHEMBL8008883 1.00 AKR1C4 (0.32) AKR1C4AKR1C3AKR1C2
SCHEMBL7717286 0.93
SCHEMBL6862145 0.90
SCHEMBL6862150 0.90
SCHEMBL6862153 0.90
SCHEMBL8023313 0.83 AKR1C4 (0.32) AKR1C4AKR1C3AKR1C2
SCHEMBL8023318 0.83 AKR1C4 (0.32) AKR1C4AKR1C3AKR1C2
SCHEMBL8019504 0.82 AKR1C4 (0.32) AKR1C4AKR1C3AKR1C2

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
JP-10175907-A None JP disclosed
US-6114364-A 2-((SUBSTITUTED)ALKYL(THIO, SULFONYL, OR SULFOXY)METHYL), 3-(CARBOXYL OR ALIPHATIC HYDROCARBONYL)CYCLOPENTAN-1-ONE DERIVATIVES, EXCEPT CYSTACYCLIN; USE AS NEURON DIFFERENTIATION ACCELERATOR NIPPON KAYAKU CO., LTD. (JP) 2000-09-05 US disclosed
EP-0976709-A1 2,3-DISUBSTITUTED CYCLOPENTANONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF NIPPON KAYAKU CO., LTD. (JP) 2000-02-02 EP disclosed
JP-H10175907-A MEDICINAL USE OF 2,3-DISUBSTITUTED CYCLOPENTANONE, ITS PRODUCTION AND NOVEL COMPOUND NIPPON KAYAKU CO LTD 1998-06-30 JP disclosed