SCHEMBL28107553

SCHEMBL28107553

CC(C)C(=O)O.c1ccc2c(c1)O2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 7/20 0.48
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL7595353 0.85 P2RX4 (0.44) P2RX4MEN1ALDH1A1MAPTKMT2A
Acetic Acid SCHEMBL10626222 0.82 P2RX4 (0.47) P2RX4MEN1MAPTKMT2ACYP2C9
Acetone SCHEMBL28309933 0.79 P2RX4 (0.47) P2RX4MEN1MAPTKMT2AGAA
SCHEMBL27990245 0.79 P2RX4 (0.49) P2RX4MAPTKMT2AL3MBTL1CYP2D6
SCHEMBL9168343 0.78 P2RX4 (0.45) P2RX4ALDH1A1KMT2ACYP2C9CYP2D6
Biphenyl SCHEMBL11847471 0.77 PTGS2 (0.64) ALDH1A1MAPTKMT2APTGS2CYP2C9
SCHEMBL9312487 0.77 KMT2A (0.47) MEN1ALDH1A1MAPTKMT2ARXFP1
Methyl Alcohol SCHEMBL6839603 0.76
Benzene SCHEMBL8850413 0.76 TP53 (0.53) MEN1ALDH1A1MAPTKMT2ARXFP1
Benzene SCHEMBL27883658 0.76 MAOA (0.53) P2RX4ALDH1A1CYP2C9GAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083564-B A kind of synthesis of 2,6- dimethyl phenoxyacetic acid and purification process 厦门市蔚嘉化学科技有限公司 2019-02-15 CN claimed
CN-106083564-A The synthesis of a kind of 2,6 dimethyl phenoxyacetic acids and purification process 厦门市蔚嘉化学科技有限公司 2016-11-09 CN claimed
CN-106083564-B A kind of synthesis of 2,6- dimethyl phenoxyacetic acid and purification process 厦门市蔚嘉化学科技有限公司 2019-02-15 CN disclosed
CN-106083564-A The synthesis of a kind of 2,6 dimethyl phenoxyacetic acids and purification process 厦门市蔚嘉化学科技有限公司 2016-11-09 CN disclosed