SCHEMBL7317431

SCHEMBL7317431

CC(O)c1ccc(F)c(OCCCCCC(=O)N(C)C2CCCCC2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.40
PDE3A Q14432 17/20 0.40
PDE2A O00408 5/20 0.40
P2RY12 Q9H244 5/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PDE5A O76074 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PTAFR P25105 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE1C Q14123 1/20 0.40

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
SCHEMBL7306556 0.85 PDE3B (0.45) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL7315555 0.85 ALDH1A1 (0.42) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL7316157 0.81 PDE3B (0.40) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL7311484 0.80 PDE3B (0.47) PDE3BPDE3AP2RY12ALDH1A1KDM4E
SCHEMBL7319480 0.78 PDE3B (0.44) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL10377348 0.77 PDE3B (0.52) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL7319377 0.76 PDE6D (0.33) ALDH1A1MEN1KMT2A
SCHEMBL7312666 0.75 PDE4A (0.46) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL7318435 0.75 PDE3B (0.42) PDE3BPDE3APDE2AP2RY12ALDH1A1
SCHEMBL7308504 0.75 PDE3B (0.41) PDE3BPDE3APDE2AP2RY12ALDH1A1

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