SCHEMBL7311384

SCHEMBL7311384

CC(O)N(C(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1Cl)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL10376744 0.86 PDE3B (0.38) PDE3BPDE3ASMN1; SMN2LMNAPDE4A
SCHEMBL10375879 0.83 PDE3B (0.36) PDE3BPDE3ASMN1; SMN2LMNAPDE4A
SCHEMBL7308660 0.83 MEN1 (0.37) PDE3BPDE3ASMN1; SMN2LMNAALDH1A1
SCHEMBL7311387 0.83 PDE3B (0.40) PDE3BPDE3ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL10375063 0.82 MAPK1 (0.37) PDE3BPDE3ASMN1; SMN2LMNAPDE4A
SCHEMBL10376966 0.82 MAPK1 (0.37) PDE3BPDE3ASMN1; SMN2LMNAPDE4A
SCHEMBL7320425 0.82 PDE3B (0.37) PDE3BPDE3ASMN1; SMN2PDE4APDE4B
SCHEMBL7310674 0.80 SMN1; SMN2 (0.35) PDE3BPDE3ASMN1; SMN2PDE4APDE4B
SCHEMBL7318247 0.80 PDE3B (0.35) PDE3BPDE3ASMN1; SMN2PDE4APDE4B
SCHEMBL7307466 0.80 PDE3B (0.45) PDE3BPDE3ASMN1; SMN2ALDH1A1KMT2A

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