SCHEMBL8586307

SCHEMBL8586307

COc1ccc(OOC(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 2/20 0.48
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
BACE1 P56817 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLK1 P53350 1/20 0.45
GSK3B P49841 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL6200881 0.82 MEN1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL10438873 0.82 LMNA (0.61) CES2CES1CA1CA2CA9
SCHEMBL3364623 0.80 LMNA (0.59) CES2CES1CA1CA2CA9
SCHEMBL3725791 0.80 MAOB (0.43) CES2CES1CA1CA2SMN1; SMN2
SCHEMBL21612930 0.80 MEN1 (0.47) CES2CES1CA1CA2CA9
SCHEMBL156135 0.80 HPGD (0.47) CES2CES1MAPTSMN1; SMN2MEN1
SCHEMBL9510016 0.80 TDP1 (0.44) MAPTPARP10RAB9ANPC1SMN1; SMN2
SCHEMBL7869484 0.80 MAPT (0.61) MAPTRAB9ASMN1; SMN2LMNAKMT2A
Benzene SCHEMBL9407301 0.79 ELANE (0.45) CES2CES1MAPTBACE1LMNA
SCHEMBL247575 0.79 ELANE (0.45) CES2CES1MAPTBACE1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251608-A1 ANTICHOLINERGIC AGENTS Rezubio Pharmaceuticals Co., Ltd (CN) 2023-10-04 EP disclosed
CN-115135152-A 1, 5-diphenylpyrazolyl-3-oxyalkyl acids and 1-phenyl-5-thienylpyrazolyl-3-oxyalkyl acids and their use for controlling undesired vegetation 拜耳公司 2022-09-30 CN disclosed
WO-2022111500-A1 ANTICHOLINERGIC AGENTS REZUBIO PHARMACEUTICALS CO., LTD (CN) 2022-06-02 WO disclosed
CN-114071999-A 1-phenyl-5-azinylpyrazolyl-3-oxyalkyl acids and their use for controlling undesired vegetation 拜耳公司 2022-02-18 CN disclosed
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed