SCHEMBL13622110

SCHEMBL13622110

C=C(C)CCCOC(=O)C(C)(C)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 8/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 1/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
DHODH Q02127 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
SCHEMBL751910 0.84 CA1 (0.40) KMT2ALMNAPOLBALDH1A1CYP3A4
SCHEMBL763466 0.83 ALDH1A1 (0.36) KMT2ALMNAALDH1A1CYP3A4CYP2C9
SCHEMBL20925382 0.80 KMT2A (0.46) KMT2ALMNAALDH1A1CYP3A4MEN1
SCHEMBL10011401 0.77 NPSR1 (0.40) KMT2ALMNAALDH1A1CYP3A4CYP2C9
SCHEMBL13622112 0.77 ALDH1A1 (0.38) KMT2ALMNAPOLBALDH1A1CYP3A4
SCHEMBL10009988 0.74 CYP1A2 (0.43) KMT2ALMNAALDH1A1CYP3A4CYP2C9
SCHEMBL10009828 0.74 TP53 (0.48) KMT2ALMNAPOLBALDH1A1CYP3A4
SCHEMBL3215490 0.71 STAT3 (0.43) KMT2ALMNAALDH1A1CYP3A4CYP2C9
SCHEMBL5625207 0.71 PSMD10 (0.42) KMT2ALMNAALDH1A1CYP3A4CYP2C9
SCHEMBL1990108 0.71 MEN1 (0.43) KMT2ALMNAPOLBALDH1A1CYP3A4

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
US-7618762-B2 Polymer having polymerizable group, polymerizable composition, planographic printing plate precursor, and planographic printing method using the same FUJIFILM CORPORATION (JP) 2009-11-17 US disclosed
US-20080182205-A1 Polymer having polymerizable group, polymerizable composition, planographic printing plate precursor, and planographic printing method using the same KUNITA KAZUTO 2008-07-31 US disclosed