SCHEMBL14344945

SCHEMBL14344945

C=CCc1ccccc1[C@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1C(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ELANE P08246 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 3/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
FOLH1 Q04609 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
SCHEMBL14344821 1.00 POLB (0.37) POLBELANEMEN1KMT2ACYP3A4
SCHEMBL14344878 0.85 LIG1 (0.34) POLBMEN1KMT2ALMNAL3MBTL1
SCHEMBL14344894 0.85 LIG1 (0.34) POLBMEN1KMT2ALMNAL3MBTL1
SCHEMBL14344983 0.84 KDM4E (0.37) POLBMEN1KMT2ACYP3A4LMNA
SCHEMBL8746478 0.80 ELANE (0.49) POLBELANEMEN1KMT2AL3MBTL1
SCHEMBL7776782 0.80 ELANE (0.49) POLBELANEMEN1KMT2AL3MBTL1
SCHEMBL14344962 0.73 ELANE (0.38) POLBELANEMEN1KMT2ALMNA
SCHEMBL4168099 0.71 ALDH1A1 (0.38) POLBELANEMEN1KMT2ALMNA
SCHEMBL5568919 0.70 FOLH1 (0.38) POLBELANEMEN1KMT2ACYP3A4
SCHEMBL6533837 0.70 FOLH1 (0.38) POLBELANEMEN1KMT2ACYP3A4

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-7312240-B2 Conformationally constrained paclitaxel analogs and their use as anticancer and anti-Alzheimers agents VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-12-25 US disclosed