SCHEMBL11071299

SCHEMBL11071299

COCCN(CC1CCCCC1)C(=O)CCCOC1CC(=O)Nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
ALDH1A1 P00352 2/20 0.35
BCHE P06276 5/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 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
SCHEMBL11071569 0.86 PDE3B (0.47) PDE3BPDE3AALDH1A1KDM4E
SCHEMBL11061198 0.86 MEN1 (0.38) POLB
SCHEMBL11067558 0.81 KMT2A (0.36) PDE3BPDE3AALDH1A1
SCHEMBL11067714 0.80 PYGL (0.38) ALDH1A1
SCHEMBL11064304 0.79 PDE3B (0.46) PDE3BPDE3AALDH1A1
SCHEMBL11062550 0.78 PDE3B (0.40) PDE3BPDE3A
SCHEMBL11064332 0.78 PDE3B (0.38) PDE3BPDE3AALDH1A1KDM4E
SCHEMBL11058595 0.74 PDE3B (0.35) PDE3BPDE3AALDH1A1
SCHEMBL11066234 0.73 PDE3B (0.68) PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL11067577 0.72 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