SCHEMBL28049560

SCHEMBL28049560

O=C(OF)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.46
CHRM2 P08172 6/20 0.46
CHRM1 P11229 4/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNN4 O15554 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRM4 P08173 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CHRM5 P08912 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL27789581 0.84 KCNN4 (0.50) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL11878020 0.82 CHRM3 (0.49) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL27768321 0.80 CYP2C9 (0.38) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL2451645 0.78 KCNN4 (0.45) MEN1KMT2AKCNN4ALDH1A1MAPT
SCHEMBL7124041 0.78 CHRM3 (0.46) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL1986527 0.78 CHRM3 (0.46) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL14608707 0.78 CHRM3 (0.46) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL1870824 0.78 KCNN4 (0.67) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL20957596 0.78 CHRM3 (0.46) CHRM3CHRM2CHRM1MEN1POLB
SCHEMBL9250738 0.77 ELANE (0.49) CHRM3CHRM2CHRM1MEN1POLB

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
CN-105283444-B Fluoro diphenylglycollic acid ester compounds and its salt 大鹏药品工业株式会社 2017-06-16 CN disclosed
CN-105283444-A Novel fluorinated benzilic acid ester compound, and salt thereof TAIHO PHARMACEUTICAL CO LTD 2016-01-27 CN disclosed