SCHEMBL7311765

SCHEMBL7311765

CC(=O)OCCCCCN(C(=O)CCCOc1cccc(C=O)c1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.35
PDE3B Q13370 12/20 0.35
PDE3A Q14432 12/20 0.35
P2RY12 Q9H244 4/20 0.34
PDE2A O00408 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
MEN1 O00255 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL7313814 0.94 CASP6 (0.36) CASP6PDE3BPDE3AP2RY12PDE2A
SCHEMBL10376004 0.87 PDE3B (0.38) CASP6PDE3BPDE3AP2RY12PDE2A
SCHEMBL7320468 0.87 PDE3B (0.38) CASP6PDE3BPDE3AP2RY12PDE2A
SCHEMBL7303043 0.87 CASP6 (0.35) CASP6PDE3BPDE3AP2RY12PDE2A
SCHEMBL10376685 0.87 PDE3B (0.41) CASP6PDE3BPDE3AP2RY12PDE2A
SCHEMBL7320491 0.87 L3MBTL1 (0.38) CASP6PDE3BPDE3AP2RY12PDE2A
SCHEMBL10376981 0.86 PDE3B (0.39) CASP6PDE3BPDE3AP2RY12PDE2A
SCHEMBL7320624 0.86 L3MBTL1 (0.37) CASP6PDE3BPDE3AP2RY12PDE2A
SCHEMBL7311657 0.84 L3MBTL1 (0.39) CASP6PDE3BPDE3AP2RY12PDE2A
SCHEMBL10752635 0.83 PDE3B (0.44) CASP6PDE3BPDE3AP2RY12PDE2A

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed