SCHEMBL8373373

SCHEMBL8373373

COc1ccc(C2OC2(C)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
EDNRB P24530 1/20 0.43
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 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
SCHEMBL9750486 1.00 EDNRA (0.43) EDNRACA1CA2EDNRBCES2
SCHEMBL8776894 1.00 EDNRA (0.43) EDNRACA1CA2EDNRBCES2
SCHEMBL16109514 0.85 OPRK1 (0.46) CA1CA2GAAMAPTL3MBTL1
SCHEMBL14967580 0.82 EDNRA (0.43) EDNRAEDNRBCES2CES1GAA
SCHEMBL9750496 0.81 MEN1 (0.47) CES2CES1GAAALDH1A1TSHR
SCHEMBL9469474 0.81 MAPK1 (0.38) CES2CES1GAAMAPTMAOB
SCHEMBL329169 0.80 KMT2A (0.40) MAPTMAOBL3MBTL1TSHRSMN1; SMN2
SCHEMBL16108680 0.80 ALDH1A1 (0.50) GAAALDH1A1TSHRKDM4ELMNA
SCHEMBL16109774 0.80 ALDH1A1 (0.40) EDNRAEDNRBCES2CES1GAA
SCHEMBL16108693 0.80 HPGD (0.43) EDNRAEDNRBCES2CES1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6335399-A None JP disclosed
EP-0602740-B1 Process for the enzymatic preparation of optically active transglycidic acid esters DSM NV (NL) 1999-02-24 EP disclosed
US-5407828-A Hydrolysis; separation of non-hydrolyzed enantiomorph DSM N.V. (NL) 1995-04-18 US disclosed
JP-H06335399-A PRODUCTION OF OPTICALLY ACTIVE ESTER OF TRANS-3-PHENYLGLYCIDIC ACID AND PRODUCTION OF BENZO(THI)AZEPINE DSM NV 1994-12-06 JP disclosed
EP-0343714-B1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM NV (NL) 1994-11-02 EP disclosed
EP-0602740-A1 Process for the enzymatic preparation of optically active transglycidic acid esters DSM N.V. (NL) 1994-06-22 EP disclosed
EP-0343714-A1 Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem DSM N.V. (NL) 1989-11-29 EP disclosed