SCHEMBL7318852

SCHEMBL7318852

CC(=O)OCCN(C(=O)CCCCCOc1cccc(C(C)=O)c1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPD P32754 3/20 0.33
PTGS2 P35354 1/20 0.33
PDE2A O00408 2/20 0.33
P2RY12 Q9H244 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 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 0.89 CASP6 (0.36) CASP6L3MBTL1MAPTPDE3BPDE3A
SCHEMBL7312011 0.89 CASP6 (0.38) CASP6LTB4R2L3MBTL1LMNAMAPT
SCHEMBL10376782 0.88 PDE3B (0.40) CASP6LTB4R2L3MBTL1MAPTPDE3B
SCHEMBL7314783 0.87 CASP6 (0.35) CASP6L3MBTL1LMNAMAPTPDE3B
SCHEMBL7310380 0.84 CASP6 (0.36) CASP6L3MBTL1MAPTPDE3BPDE3A
SCHEMBL7311765 0.83 CASP6 (0.35) CASP6L3MBTL1MAPTPDE3BPDE3A
SCHEMBL7320492 0.82 CASP6 (0.36) CASP6L3MBTL1MAPTPDE3BPDE3A
SCHEMBL7303043 0.82 CASP6 (0.35) CASP6L3MBTL1PDE3BPDE3APDE2A
SCHEMBL7317266 0.82 PDE3B (0.48) PDE3BPDE3ASMN1; SMN2PDE2AP2RY12
SCHEMBL7319354 0.81 CASP6 (0.37) CASP6L3MBTL1LMNAMAPTPDE3B

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