SCHEMBL7310674

SCHEMBL7310674

Cc1ccc(OCCCCC(=O)N(C(C)O)C2CCCCC2)c([N+](=O)[O-])c1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 8/20 0.34
PDE3B Q13370 5/20 0.34
PDE3A Q14432 5/20 0.34
MAPT P10636 3/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 4/20 0.33
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE2A O00408 2/20 0.31
P2RY12 Q9H244 2/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 2/20 0.31
PDE5A O76074 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
SCHEMBL10375879 0.87 PDE3B (0.36) SMN1; SMN2ALDH1A1PDE3BPDE3AMAPT
SCHEMBL10375063 0.86 MAPK1 (0.37) SMN1; SMN2ALDH1A1PDE3BPDE3AMAPT
SCHEMBL10376966 0.86 MAPK1 (0.37) SMN1; SMN2ALDH1A1PDE3BPDE3AMAPT
SCHEMBL10376980 0.85 PDE3B (0.36) SMN1; SMN2ALDH1A1PDE3BPDE3AMAPT
SCHEMBL7308660 0.85 MEN1 (0.37) SMN1; SMN2ALDH1A1PDE3BPDE3AMAPT
SCHEMBL10376744 0.84 PDE3B (0.38) SMN1; SMN2ALDH1A1PDE3BPDE3AMAPT
SCHEMBL10376003 0.84 PDE3B (0.36) SMN1; SMN2ALDH1A1PDE3BPDE3AMAPT
SCHEMBL7320463 0.84 PDE3B (0.36) SMN1; SMN2ALDH1A1PDE3BPDE3AMAPT
SCHEMBL7310679 0.84 PDE3B (0.38) ALDH1A1PDE3BPDE3AMAPTPDE4A
SCHEMBL10376684 0.82 PDE3B (0.38) SMN1; SMN2ALDH1A1PDE3BPDE3AMAPT

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