SCHEMBL7308565

SCHEMBL7308565

CCCCN(C(=O)CCC(O)COc1ccc([N+](=O)[O-])c(C(C)O)c1Cl)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
CASP6 P55212 1/20 0.34
KMT2A Q03164 3/20 0.33
PYGL P06737 1/20 0.33
ALDH1A1 P00352 5/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31

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
SCHEMBL7319790 0.93 PDE3B (0.35) SMN1; SMN2CASP6KMT2APYGLALDH1A1
SCHEMBL7320413 0.89 SMN1; SMN2 (0.39) SMN1; SMN2CASP6KMT2APYGLALDH1A1
SCHEMBL7318247 0.82 PDE3B (0.35) SMN1; SMN2CASP6KMT2APYGLALDH1A1
SCHEMBL7312890 0.81 CASP6 (0.37) SMN1; SMN2CASP6KMT2AALDH1A1HTT
SCHEMBL7321041 0.80 CASP6 (0.35) SMN1; SMN2CASP6KMT2APYGLALDH1A1
SCHEMBL7308560 0.76 GAA (0.32) SMN1; SMN2CASP6KMT2AALDH1A1HTT
SCHEMBL10374861 0.74 L3MBTL1 (0.37) SMN1; SMN2CASP6KMT2AALDH1A1MAPT
SCHEMBL7306686 0.73 THRA (0.36) SMN1; SMN2CASP6PYGLL3MBTL1THRA
SCHEMBL7315270 0.72 THRA (0.38) CASP6KMT2AALDH1A1THRATHRB
SCHEMBL7311843 0.71 PDE3B (0.46) PYGL

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