SCHEMBL16675176

SCHEMBL16675176

COc1ccc(OC(=O)Oc2cc(OC(=O)Oc3ccc(OC)cc3)cc(OC(=O)Oc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 2/20 0.48
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
GAA P10253 3/20 0.47

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
SCHEMBL1398350 0.93 CES2 (0.58) CES2CES1CA1CA2MEN1
SCHEMBL8060232 0.88 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL8065698 0.86 ESR2 (0.58) CES2CES1CA1CA2MEN1
SCHEMBL15416194 0.85 CA1 (0.66) CES2CES1CA1CA2MEN1
SCHEMBL25022311 0.84 ESR2 (0.61) CES2CES1CA1CA2MEN1
SCHEMBL5696756 0.84 CA4 (0.61) CES2CES1CA1CA2MEN1
SCHEMBL5864967 0.84 CES2 (0.54) CES2CES1CA1CA2MEN1
SCHEMBL697317 0.84 CA1 (0.56) CES2CES1CA1CA2MEN1
SCHEMBL10709297 0.83 NFE2L2 (0.53) CES2CES1CA1CA2MEN1
SCHEMBL13019255 0.82 CA1 (0.54) CES2CES1CA1CA2MEN1

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-20150114257-A1 METHOD OF PREPARING RETARDATION FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY Konica Minolta, Inc. (JP) 2015-04-30 US disclosed
US-20150114257-A1 METHOD OF PREPARING RETARDATION FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY Konica Minolta, Inc. (JP) 2015-04-30 US disclosed