SCHEMBL11058595

SCHEMBL11058595

O=C1CC(OCCCC(=O)N(CCO)C2CCCCO2)c2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.35
PDE3A Q14432 10/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 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
SCHEMBL11064304 0.87 PDE3B (0.46) PDE3BPDE3AALDH1A1
SCHEMBL11067714 0.85 PYGL (0.38) ALDH1A1MEN1KMT2ALMNA
SCHEMBL11061198 0.78 MEN1 (0.38) MEN1KMT2ALMNA
SCHEMBL11071569 0.78 PDE3B (0.47) PDE3BPDE3AALDH1A1
SCHEMBL11067558 0.78 KMT2A (0.36) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL11064228 0.77 ALDH1A1 (0.40) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL11062550 0.77 PDE3B (0.40) PDE3BPDE3A
SCHEMBL11067577 0.75 PDE3B (0.38) PDE3BPDE3AALDH1A1
SCHEMBL11071299 0.74 POLB (0.42) PDE3BPDE3AALDH1A1
SCHEMBL11064332 0.73 PDE3B (0.38) PDE3BPDE3AALDH1A1

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed