SCHEMBL7308560

SCHEMBL7308560

CCCCC(CCCC(=O)N(O)C1CCCCC1)Oc1ccc([N+](=O)[O-])c(C(C)O)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
CASP6 P55212 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 4/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
KMT2A Q03164 4/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7320408 0.88 ALDH1A1 (0.33) GAACASP6HPGDALDH1A1SMN1; SMN2
SCHEMBL7319790 0.77 PDE3B (0.35) CASP6ALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL7308565 0.76 SMN1; SMN2 (0.37) GAACASP6ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7312890 0.72 CASP6 (0.37) GAACASP6ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7321041 0.70 CASP6 (0.35) GAACASP6ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7311837 0.69 PDE3B (0.48)
SCHEMBL7317263 0.68 PDE3B (0.50)
SCHEMBL7316670 0.68 PDE3B (0.41) HPGDALDH1A1KMT2AMEN1
SCHEMBL7320520 0.66 PDE3B (0.47) HPGDALDH1A1KMT2AMEN1
SCHEMBL7318247 0.66 PDE3B (0.35) CASP6ALDH1A1SMN1; SMN2KMT2ANPC1

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