SCHEMBL1670874

SCHEMBL1670874

O=C(OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CHRM3 P20309 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNN4 O15554 3/20 0.38
CHRM4 P08173 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
GAA P10253 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL7559902 0.80 LMNA (0.46) CES2CES1CHRM3CHRM2CHRM1
Benzylic Acid SCHEMBL1670871 0.78 CES2 (0.49) CES2CES1KCNN4ALDH1A1HTT
SCHEMBL1670872 0.75 CES2 (0.46) CES2CES1MEN1KMT2AKCNN4
SCHEMBL28230035 0.75 CHRM3 (0.54) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL11878020 0.74 CHRM3 (0.49) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL7522990 0.72 CES2 (0.56) CES2CES1MEN1POLBKMT2A
SCHEMBL8410789 0.72 CES2 (0.56) CES2CES1MEN1POLBKMT2A
SCHEMBL7564702 0.71 MEN1 (0.46) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL1671676 0.70 CES2 (0.63) CES2CES1MEN1POLBKMT2A
SCHEMBL11354965 0.70 CES2 (0.63) CES2CES1MEN1POLBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed