SCHEMBL11065090

SCHEMBL11065090

CC(=O)OCCN(C(=O)CCCCOC1CC(=O)Nc2ccccc21)C1CCCC(O)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.33
PDE3A Q14432 11/20 0.33
ALDH1A1 P00352 2/20 0.32
PDE2A O00408 2/20 0.30
P2RY12 Q9H244 2/20 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
SCHEMBL11064332 0.92 PDE3B (0.38) PDE3BPDE3AALDH1A1PDE2AP2RY12
SCHEMBL11062550 0.89 PDE3B (0.40) PDE3BPDE3APDE2AP2RY12
SCHEMBL11067577 0.82 PDE3B (0.38) PDE3BPDE3AALDH1A1P2RY12
SCHEMBL11071569 0.81 PDE3B (0.47) PDE3BPDE3AALDH1A1PDE2AP2RY12
SCHEMBL11064304 0.79 PDE3B (0.46) PDE3BPDE3AALDH1A1PDE2AP2RY12
SCHEMBL11067558 0.77 KMT2A (0.36) PDE3BPDE3AALDH1A1
SCHEMBL11065345 0.76 PDE3B (0.60) PDE3BPDE3AALDH1A1
SCHEMBL11064753 0.72 PDE3B (0.50) PDE3BPDE3APDE2AP2RY12
SCHEMBL11058595 0.72 PDE3B (0.35) PDE3BPDE3AALDH1A1
SCHEMBL11064228 0.71 ALDH1A1 (0.40) 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