SCHEMBL1714092

SCHEMBL1714092

CC(=O)c1cc(Cl)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 2/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 4/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACLY P53396 1/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
KCNH2 Q12809 1/20 0.42
GAA P10253 1/20 0.42
PTGDR Q13258 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 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
SCHEMBL22777530 0.88 NPC1 (0.47) NPC1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL11280539 0.84 NPC1 (0.61) NPC1RAB9AMAPTPTGDR2CYP1A2
SCHEMBL28694748 0.84 TDP1 (0.62) MAPTTDP1KMT2AALDH1A1L3MBTL1
SCHEMBL22777216 0.83 CYP1A2 (0.64) NPC1MAPTCYP1A2CYP2C9HIF1A
SCHEMBL22777269 0.82 MTNR1A (0.47) PTGDR2CYP1A2CYP2C9HIF1ATDP1
SCHEMBL22396983 0.82 CYP1A2 (0.46) MAPTPTGDR2CYP1A2CYP2C9HIF1A
SCHEMBL12145811 0.82 GAA (0.58) NPC1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL16738600 0.81 MEN1 (0.50) CYP1A2CYP2C9HIF1ATDP1KMT2A
SCHEMBL3691062 0.81 PTGDR2 (0.68) NPC1RAB9AMAPTPTGDR2TDP1
SCHEMBL27833990 0.81 MAPT (0.65) MAPTPTGDR2CYP1A2CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107226-B Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB 2012-01-18 CN disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 CN disclosed