SCHEMBL15096383

SCHEMBL15096383

COC(=O)N1C(=O)[C@H](OC=O)[C@@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.56
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCB1 P08183 1/20 0.36
POLB P06746 1/20 0.34
ATM Q13315 2/20 0.34
PPME1 Q9Y570 1/20 0.34
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
LMNA P02545 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL5963538 0.78 ELANE (0.51) ELANEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7779914 0.77 ELANE (0.52) ELANEMEN1KMT2AABCB1ATM
SCHEMBL9037297 0.77 ELANE (0.52) ELANEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9037293 0.77 ELANE (0.52) ELANEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9037300 0.77 ELANE (0.52) ELANEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5964086 0.75 ELANE (0.49) ELANEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15304960 0.74 ELANE (0.48) ELANEMEN1KMT2AALDH1A1ABCB1
SCHEMBL15096382 0.70 ELANE (0.49) ELANE
SCHEMBL6409371 0.69 ELANE (0.51) ELANEMEN1KMT2AABCB1
SCHEMBL3076587 0.69 ELANE (0.51) ELANEMEN1KMT2AABCB1

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
EP-1948669-B1 NEW METHODS FOR THE PREPARATION OF TAXANES USING CHIRAL AUXILIARIES ACCORD HEALTHCARE INC (CA) 2013-07-10 EP disclosed