SCHEMBL742955

SCHEMBL742955

CC1(O)CCC(N)(C(=O)OCc2ccccc2)C(N)(C(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 3/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL742006 0.83 DDB1 (0.43) DDB1CRBNALDH1A1CA12CA1
SCHEMBL21504116 0.80 ALDH1A1 (0.45) DDB1CRBNALDH1A1CA12CA1
SCHEMBL743375 0.79 DDB1 (0.42) DDB1CRBNALDH1A1CA12CA1
SCHEMBL21504136 0.76 DDB1 (0.47) DDB1CRBNALDH1A1CA12CA1
SCHEMBL5902814 0.75 DDB1 (0.44) DDB1CRBNALDH1A1
SCHEMBL23460656 0.75 ALDH1A1 (0.53) DDB1CRBNALDH1A1CA12CA1
SCHEMBL741732 0.75 ALDH1A1 (0.51) DDB1CRBNALDH1A1CA12CA1
SCHEMBL2542693 0.75 DDB1 (0.54) DDB1CRBNALDH1A1CA12CA1
SCHEMBL741795 0.74 DDB1 (0.51) DDB1CRBNALDH1A1CA12CA1
SCHEMBL15114679 0.74 ALDH1A1 (0.51) DDB1CRBNALDH1A1MAPK1L3MBTL1

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
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed