SCHEMBL7312666

SCHEMBL7312666

Cc1cc(OCCCC(=O)N(C)C2CCCCCC2)c([N+](=O)[O-])c(C(C)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3B Q13370 19/20 0.44
PDE3A Q14432 19/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
PDE5A O76074 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
PTAFR P25105 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL7311484 0.86 PDE3B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313793 0.85 PDE3B (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317861 0.85 PDE3B (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7319480 0.80 PDE3B (0.44) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7310447 0.78 PDE3B (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7320520 0.76 PDE3B (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314934 0.76 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL10374675 0.76 PDE3B (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10377348 0.76 PDE3B (0.52) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL7317431 0.75 PDE3B (0.40) PDE4APDE4BPDE4CPDE4DPDE3B

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