SCHEMBL5072148

SCHEMBL5072148

CCOCCOC(=O)C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CHRM1 P11229 3/20 0.48
CHRM3 P20309 3/20 0.48
CHRM2 P08172 2/20 0.48
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 2/20 0.44
CHRM4 P08173 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL10433558 0.90 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KDM4ECHRM1CHRM3
SCHEMBL28353809 0.90 LMNA (0.52) ALDH1A1SMN1; SMN2KDM4ECHRM1CHRM3
SCHEMBL9187724 0.85 LMNA (0.62) ALDH1A1SMN1; SMN2KDM4ECHRM1CHRM3
SCHEMBL3454215 0.84 LMNA (0.55) ALDH1A1SMN1; SMN2CHRM1CHRM3CHRM2
SCHEMBL3454217 0.84 LMNA (0.55) ALDH1A1SMN1; SMN2CHRM1CHRM3CHRM2
SCHEMBL4297584 0.84 MMP8 (0.57) SMN1; SMN2LMNAMAPK1KMT2ATSHR
SCHEMBL27590464 0.84 MMP8 (0.57) SMN1; SMN2LMNAMAPK1KMT2ATSHR
SCHEMBL3266292 0.84 MMP8 (0.57) SMN1; SMN2LMNAMAPK1KMT2ATSHR
SCHEMBL279960 0.84 MMP8 (0.57) SMN1; SMN2LMNAMAPK1KMT2ATSHR
SCHEMBL15896744 0.83 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4ECHRM1CHRM3

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
EP-1948699-A1 WATERBORNE CURABLE RESIN COMPOSITION Nippon Shokubai Co.,Ltd. (JP) 2008-07-30 EP disclosed
WO-2007037559-A1 WATERBORNE CURABLE RESIN COMPOSITION NIPPON SHOKUBAI CO., LTD. (JP) 2007-04-05 WO disclosed