SCHEMBL5358601

SCHEMBL5358601

CC1C(O)C(=O)OC1(C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
HSD11B1 P28845 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN1 P18031 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
SCHEMBL4614409 0.70 NAAA (0.34) NAAAHSD11B1
SCHEMBL4612385 0.69 IDO1 (0.33)
SCHEMBL16708498 0.68 LMNA (0.32) PTPN1
SCHEMBL5117640 0.67 HSD11B1 (0.32) NAAAHSD11B1
SCHEMBL15831127 0.66 KDM4E (0.36) PTPN1
SCHEMBL18428564 0.66 TP53 (0.38) NAAAHSD11B1PTPN1
SCHEMBL5347086 0.63 HSD11B1 (0.35) HSD11B1
SCHEMBL5355788 0.63 HSD11B1 (0.36) HSD11B1
SCHEMBL5362618 0.62 HSD11B1 (0.34) HSD11B1
SCHEMBL27575442 0.61 BACE1 (0.38) PTPN1

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-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed