SCHEMBL7311523

SCHEMBL7311523

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
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE3B Q13370 16/20 0.40
PDE3A Q14432 16/20 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
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
PDE1C Q14123 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL7316670 0.87 PDE3B (0.41) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL7315355 0.85 PDE3B (0.55) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL10376673 0.84 PDE3B (0.54) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL10376988 0.83 PDE3B (0.54) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL10376741 0.83 PDE3B (0.54) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL7411867 0.78 PDE3B (0.55) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL7304264 0.77 PDE3B (0.54) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL7306081 0.76 PDE3B (0.46) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL7347456 0.75 PDE3B (0.45) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL7312545 0.73 PDE3B (0.50) ALDH1A1PDE3BPDE3AMEN1KMT2A

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