SCHEMBL7758095

SCHEMBL7758095

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
CTSD P07339 2/20 0.51
ABCB1 P08183 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2D6 P10635 1/20 0.47
RAB9A P51151 4/20 0.47

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
SCHEMBL13224057 0.90 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACTSDABCB1
SCHEMBL7821883 0.86 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACTSDABCB1
SCHEMBL7759636 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACTSDABCB1
SCHEMBL7759635 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACTSDABCB1
SCHEMBL6573968 0.84 RAB9A (0.55) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL7105027 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL5732713 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2ACTSDMAPT
SCHEMBL7724490 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACTSDABCB1
SCHEMBL7724491 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACTSDABCB1
SCHEMBL31756984 0.83 MEN1 (0.56) ALDH1A1MEN1KMT2AABCB1HTR1A

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