SCHEMBL28700262

SCHEMBL28700262

CC(Cl)Cl.Cc1ccccc1OCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
POLB P06746 2/20 0.57
GLA P06280 1/20 0.57
NOTUM Q6P988 1/20 0.56
TSHR P16473 1/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.53
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL654774 0.91 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1POLBGLANOTUM
SCHEMBL29966790 0.91 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1POLBGLANOTUM
Hydrochloric Acid SCHEMBL16239152 0.90 SMN1; SMN2 (0.65) SMN1; SMN2L3MBTL1POLBGLANOTUM
SCHEMBL27918156 0.90 SMN1; SMN2 (0.65) SMN1; SMN2L3MBTL1POLBGLANOTUM
Chlorobenzene SCHEMBL28180490 0.87 PTGDR2 (0.60) SMN1; SMN2L3MBTL1POLBGLANOTUM
Toluene SCHEMBL29163289 0.86 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1POLBGLANOTUM
Metaxon SCHEMBL27799919 0.81 PTGDR2 (0.66) L3MBTL1TSHRPTGDR2HTTNPSR1
SCHEMBL28508936 0.81 L3MBTL1 (0.64) SMN1; SMN2L3MBTL1POLBGLANOTUM
Metaxon SCHEMBL28681554 0.80 TDP1 (0.62) SMN1; SMN2POLBTSHRPTGDR2HTT
Trolamine SCHEMBL29354157 0.80 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1POLBGLANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861012-A Continuous preparation method and preparation system of 2-methyl-4-chlorophenoxyacetic acid 安徽华星化工有限公司 2021-12-31 CN disclosed