SCHEMBL15106966

SCHEMBL15106966

C=C(N1CCC(N2CCCCC2)CC1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 14/20 0.45
L3MBTL1 Q9Y468 13/20 0.45
MBTD1 Q05BQ5 5/20 0.45
TP53BP1 Q12888 2/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL12935890 0.80 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1
SCHEMBL12156517 0.78 L3MBTL3 (0.53) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5773987 0.77 ALDH1A1 (0.38) MEN1KMT2AKDM4EALDH1A1
SCHEMBL12156267 0.76 L3MBTL3 (0.51) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL24244836 0.74 L3MBTL3 (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL6806463 0.74 L3MBTL3 (0.61) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL21523905 0.74 PHGDH (0.43) MEN1KMT2AALDH1A1
SCHEMBL19287007 0.73 ALDH1A1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL25473961 0.71 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL27598275 0.71 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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
US-8486994-B2 Prodrugs of substituted 1,3-dioxanes and their uses EVOLVA SA (CH) 2013-07-16 US disclosed