SCHEMBL7303043

SCHEMBL7303043

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.35
PDE3B Q13370 12/20 0.34
PDE3A Q14432 12/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
P2RY12 Q9H244 3/20 0.32
PDE2A O00408 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL7314783 0.94 CASP6 (0.35) CASP6PDE3BPDE3AL3MBTL1P2RY12
SCHEMBL10374677 0.88 PDE3B (0.39) CASP6PDE3BPDE3AL3MBTL1P2RY12
SCHEMBL7313849 0.87 L3MBTL1 (0.39) CASP6PDE3BPDE3AL3MBTL1P2RY12
SCHEMBL7311765 0.87 CASP6 (0.35) CASP6PDE3BPDE3AL3MBTL1P2RY12
SCHEMBL7315054 0.86 L3MBTL1 (0.38) CASP6PDE3BPDE3AL3MBTL1P2RY12
SCHEMBL7311484 0.83 PDE3B (0.47) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL7311657 0.83 L3MBTL1 (0.39) CASP6PDE3BPDE3AL3MBTL1P2RY12
SCHEMBL10374675 0.82 PDE3B (0.39) PDE3BPDE3AL3MBTL1P2RY12PDE4A
SCHEMBL7320491 0.82 L3MBTL1 (0.38) CASP6PDE3BPDE3AL3MBTL1P2RY12
SCHEMBL7318852 0.82 CASP6 (0.36) CASP6PDE3BPDE3AL3MBTL1P2RY12

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