SCHEMBL28032089

SCHEMBL28032089

COC(=O)C[C@H](O)c1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP3A4 P08684 1/20 0.43
MC4R P32245 2/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8770892 1.00 MEN1 (0.44) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL23481544 0.89 MEN1 (0.42) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL8770910 0.87 CES2 (0.46) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL3224732 0.84 NLRP3 (0.44) KMT2ACES2CES1CYP3A4ALDH1A1
SCHEMBL26455960 0.83 MEN1 (0.48) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL8770923 0.83 CES2 (0.41) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL28375089 0.83 PPARG (0.54) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL8770909 0.81 HTT (0.51) PPARGHTT
Hydrochloric Acid SCHEMBL381611 0.81 MEN1 (0.43) MEN1KMT2ACES2CES1CYP3A4
SCHEMBL21739932 0.81 KCNA5 (0.45) MEN1KMT2ACYP3A4MC4RCNR2

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-105063112-A Method for producing methyl (S)-fluorophenylhydroxy propionate by using yeast UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-18 CN claimed
CN-105063112-A Method for producing methyl (S)-fluorophenylhydroxy propionate by using yeast UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-18 CN disclosed