SCHEMBL7724490

SCHEMBL7724490

COc1cc(CCO[C]=O)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
CTSD P07339 2/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
ABCB1 P08183 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL7724491 0.85 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL7758095 0.84 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL7759636 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL13224057 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL31756984 0.80 MEN1 (0.56) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL10585706 0.80 MEN1 (0.56) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL7821883 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL3952879 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL18402786 0.80 MEN1 (0.57) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL16539610 0.79 HTR1A (0.52) ALDH1A1MEN1KMT2AHTR1AADRA1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002077194-A2 POLYMER SYNTHESIS LINDEN TECHNOLOGIES, INC. (US) 2002-10-03 WO disclosed
WO-2001055451-A1 C-3' PROTECTED MONOMERIC NUCLEOTIDES AND SYNTHESIS OF OLIGONUCLEOTIDES ON SOLID SUPPORT LINDEN TECHNOLOGIES, INC. (US) 2001-08-02 WO disclosed