SCHEMBL28017977

SCHEMBL28017977

O=C(CF)Oc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
JAK2 O60674 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ATM Q13315 1/20 0.39
SERPINE1 P05121 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
SCHEMBL688754 0.83 GAA (0.54) GAAJAK2MAPTLMNAKMT2A
SCHEMBL688269 0.83 GAA (0.54) GAAJAK2MAPTLMNAKMT2A
SCHEMBL4641369 0.82 GAA (0.52) GAAJAK2MAPTLMNAKMT2A
SCHEMBL27642915 0.80 ALDH1A1 (0.55) GAAMAPTLMNAKMT2AHPGD
SCHEMBL689958 0.80 KMT2A (0.51) GAAJAK2MAPTLMNAKMT2A
SCHEMBL4644681 0.80 GAA (0.50) GAAJAK2MAPTLMNAKMT2A
SCHEMBL1085665 0.80 GAA (0.50) GAAJAK2MAPTLMNAKMT2A
SCHEMBL361508 0.80 GAA (0.50) GAAJAK2MAPTLMNAKMT2A
SCHEMBL4645662 0.80 GAA (0.50) GAAJAK2MAPTLMNAKMT2A
Methane SCHEMBL10713153 0.78 GAA (0.48) GAAJAK2MAPTLMNAKMT2A

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-104710305-B A kind of synthetic method of 2-(2-hydroxy phenyl)-2-fluoroacetic acid ester 常熟市联创化学有限公司 2016-08-17 CN disclosed
CN-104710305-A Synthetic method for 2-(2-hydroxyphenyl)-2-oxyacetate CHANGSHU LEAGUE CHEMICAL CO LTD 2015-06-17 CN disclosed