SCHEMBL11028267

SCHEMBL11028267

CC1=C(O)C(C)(C)CC(O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
PTPN1 P18031 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
SCHEMBL11223105 1.00 MAPT (0.45) MAPTIDO1TDO2PTPN1
SCHEMBL19231532 0.81 MAPT (0.46) MAPTIDO1TDO2PTPN1
SCHEMBL13479444 0.81 MAPT (0.46) MAPTIDO1TDO2PTPN1
SCHEMBL14279199 0.81 MAPT (0.46) MAPTIDO1TDO2PTPN1
SCHEMBL19168024 0.78 MAPT (0.44) MAPTIDO1TDO2
SCHEMBL14472687 0.76 MAPT (0.61) MAPTIDO1TDO2
SCHEMBL10033763 0.75 MAPT (0.42) MAPTIDO1TDO2
SCHEMBL11992942 0.75 MAPT (0.42) MAPTIDO1TDO2
SCHEMBL20349081 0.75 MAPT (0.42) MAPTIDO1TDO2
SCHEMBL23022360 0.73 MAPT (0.55) MAPTIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085158-B1 PROCESS FOR THE PREPARATION OF CYCLOALKENON DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-06-19 EP disclosed
US-4465567-A Process for the manufacture of 3-hydroxy-2-cycloalken-1-one derivatives HOFFMANN-LA ROCHE INC. (US) 1984-08-14 US disclosed
EP-0085158-A2 Process for the preparation of cycloalkenon derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-08-10 EP disclosed
EP-0005748-B1 PROCESS FOR THE PREPARATION OF CYCLOHEXENYL DERIVATIVES, AND INTERMEDIATES PRODUCED IN THE SYNTHESIS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-12-29 EP disclosed
US-4283559-A Process for the manufacture of cyclohexene derivatives HOFFMANN-LA ROCHE INC. (US) 1981-08-11 US disclosed
EP-0005748-A2 Process for the preparation of cyclohexenyl derivatives, and intermediates produced in the synthesis F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-12-12 EP disclosed