SCHEMBL7316670

SCHEMBL7316670

CCC(CCCC(=O)N(C)C1CCCCC1)Oc1ccc([N+](=O)[O-])c(C(C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.41
PDE3A Q14432 14/20 0.41
PDE4A P27815 5/20 0.40
PDE4B Q07343 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE5A O76074 1/20 0.40
ALDH1A1 P00352 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

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
SCHEMBL7311523 0.87 ALDH1A1 (0.41) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL7310447 0.86 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10377348 0.85 PDE3B (0.52) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL10375869 0.82 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10375878 0.80 MEN1 (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7312545 0.80 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10375847 0.78 PDE3B (0.46) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL7312687 0.78 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11129298 0.78 KMT2A (0.41) PDE3BPDE3AMEN1KMT2AKDM4E
SCHEMBL10374532 0.76 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C

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