SCHEMBL11032465

SCHEMBL11032465

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK7 P50613 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 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
SCHEMBL5710840 0.78 CTSD (0.30)
SCHEMBL11223105 0.67 MAPT (0.45) MAPT
SCHEMBL11028267 0.67 MAPT (0.45) MAPT
SCHEMBL6229049 0.67
SCHEMBL25834644 0.65
SCHEMBL3675121 0.56 PTPN1 (0.31) MAPT
SCHEMBL13736467 0.56
SCHEMBL12258622 0.56 PTPN1 (0.36)
SCHEMBL19231532 0.55 MAPT (0.46) MAPT
SCHEMBL13736883 0.55

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 3 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