SCHEMBL13622112

SCHEMBL13622112

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
DHODH Q02127 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL752196 0.85 CA1 (0.41) ALDH1A1KMT2ALMNAPOLBDHODH
SCHEMBL28453248 0.84 ALDH1A1 (0.41) ALDH1A1KMT2ALMNACYP2C9CYP2C19
SCHEMBL28453243 0.84 ALDH1A1 (0.41) ALDH1A1KMT2ALMNACYP2C9CYP2C19
SCHEMBL2632224 0.83 ALDH1A1 (0.37) ALDH1A1KMT2ALMNAPOLBDHODH
SCHEMBL21118959 0.81 KMT2A (0.40) ALDH1A1KMT2ALMNAPOLBCYP2C9
SCHEMBL12659567 0.80 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAPOLBCYP2C9
SCHEMBL2325747 0.80 KMT2A (0.47) ALDH1A1KMT2ALMNARAB9AGAA
SCHEMBL7587366 0.80 KMT2A (0.47) ALDH1A1KMT2ALMNARAB9AGAA
SCHEMBL2081536 0.80 KMT2A (0.47) ALDH1A1KMT2ALMNARAB9AGAA
SCHEMBL10710330 0.77 KMT2A (0.38) ALDH1A1KMT2ALMNAPOLBDHODH

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