SCHEMBL11313435

SCHEMBL11313435

CCN(C(=O)CC(C)COc1cccc2c1NC(=O)CC2)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CCR1 P32246 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CASP6 P55212 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL11317577 0.85 ADRB1 (0.47) ATML3MBTL1PDE3BPDE3AGAA
SCHEMBL11067771 0.75 PDE3B (0.41) L3MBTL1PDE3BPDE3AMEN1KMT2A
SCHEMBL11058886 0.74 PDE3B (0.51) PDE3BPDE3A
SCHEMBL11069955 0.74 PDE3B (0.50) PDE3BPDE3A
SCHEMBL11070251 0.74 ADRB1 (0.44) ATMSMN1; SMN2
SCHEMBL11071107 0.73 PDE3B (0.45) PDE3BPDE3A
SCHEMBL11062197 0.72 CCR1 (0.35) ALDH1A1CCR1KCNH2
SCHEMBL12090742 0.71 CYP19A1 (0.48) GAAALDH1A1MEN1KMT2ACCR1
SCHEMBL11062648 0.71 PDE3B (0.57) PDE3BPDE3ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11071895 0.71 PDE3B (0.40) PDE3BPDE3AGAAMEN1KMT2A

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-4298739-A ANTICOAGULANTS, ANTIINFLAMMATORY, ANTIULCER, VASODILATOR, PHOSPHODIESTERASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-03 US disclosed