SCHEMBL7320408

SCHEMBL7320408

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
KMT2A Q03164 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
VCAM1 P19320 2/20 0.31
LMNA P02545 2/20 0.31
CASP6 P55212 1/20 0.30
ALOX12 P18054 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL7308560 0.88 GAA (0.32) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL7318247 0.76 PDE3B (0.35) ALDH1A1MAPTSMN1; SMN2KMT2ANPC1
SCHEMBL7320413 0.75 SMN1; SMN2 (0.39) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL7311384 0.74 PDE3B (0.40) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL7311387 0.71 PDE3B (0.40) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL7320425 0.71 PDE3B (0.37) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL7311837 0.69 PDE3B (0.48)
SCHEMBL7317263 0.69 PDE3B (0.50)
SCHEMBL7319280 0.69 CASP6 (0.35) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL10374700 0.67 SMN1; SMN2 (0.35) ALDH1A1MAPTGAAHPGDSMN1; SMN2

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