SCHEMBL9747181

SCHEMBL9747181

CCN(CC)CCC1COC2(CCC(C(C)(C)CC)CC2)O1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PABPC1 P11940 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL9743280 0.92 KDM4E (0.36) KDM4EPABPC1CTDSP1
SCHEMBL9742312 0.82 KDM4E (0.38) KDM4EPABPC1CTDSP1
SCHEMBL9678064 0.81 PABPC1 (0.31) PABPC1CTDSP1
SCHEMBL9742112 0.76 GAA (0.39) KDM4EPABPC1CTDSP1
SCHEMBL9743283 0.75 KDM4E (0.36) KDM4EPABPC1CTDSP1
Spiroxamine SCHEMBL17335924 0.75 PABPC1 (0.31) PABPC1CTDSP1
Spiroxamine SCHEMBL20282 0.75 PABPC1 (0.31) PABPC1CTDSP1
Spiroxamine SCHEMBL15757310 0.74 PABPC1 (0.30) PABPC1CTDSP1
Spiroxamine SCHEMBL27795318 0.74 PABPC1 (0.30) PABPC1CTDSP1
SCHEMBL9539652 0.73 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016518-A1 AMINOETHYL KETALS, THEIR PREPARATION AND INTERMEDIATE PRODUCTS THEREFOR, AND THEIR USE AS FUNGICIDES CHEMINOVA AGRO A/S (DK) 1992-10-01 WO disclosed