SCHEMBL10084473

SCHEMBL10084473

CC(C)(OC(=O)C1CC2C=CC1C2)C(C)(O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 8/20 0.38
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 2/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL14410139 0.90 KDM4E (0.41) KDM4ELMNAALDH1A1RAB9AHPGD
SCHEMBL949905 0.90 KDM4E (0.41) KDM4ELMNAALDH1A1RAB9AHPGD
SCHEMBL5944193 0.90 KDM4E (0.44) KDM4ELMNAALDH1A1RAB9AHPGD
SCHEMBL22263912 0.83 KDM4E (0.46) KDM4ELMNAALDH1A1RAB9AHPGD
SCHEMBL14492540 0.80 KDM4E (0.41) KDM4ELMNAALDH1A1RAB9AHPGD
SCHEMBL30862606 0.80 KDM4E (0.49) KDM4ELMNAALDH1A1RAB9AHPGD
SCHEMBL14628488 0.80 KDM4E (0.49) KDM4ELMNAALDH1A1RAB9AHPGD
SCHEMBL525537 0.80 KDM4E (0.49) KDM4ELMNAALDH1A1RAB9AHPGD
SCHEMBL14534917 0.80 KDM4E (0.49) KDM4ELMNAALDH1A1RAB9AHPGD
SCHEMBL13649870 0.79 ALDH1A1 (0.37) KDM4ELMNAALDH1A1RAB9AHPGD

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-1829850-B1 Method for the preparation of fluorinated monomers SHINETSU CHEMICAL CO (JP) 2012-05-16 EP disclosed