SCHEMBL6229779

SCHEMBL6229779

COc1ccc(C2OC2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.54
EDNRB P24530 2/20 0.54
TSHR P16473 2/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
EPHX1 P07099 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL7144597 1.00 EDNRA (0.54) EDNRAEDNRBTSHRCES2CES1
SCHEMBL6228156 1.00 EDNRA (0.54) EDNRAEDNRBTSHRCES2CES1
SCHEMBL9258771 1.00 EDNRA (0.54) EDNRAEDNRBTSHRCES2CES1
SCHEMBL7293698 1.00 EDNRA (0.54) EDNRAEDNRBTSHRCES2CES1
SCHEMBL8927247 0.98 EDNRA (0.53) EDNRAEDNRBTSHRCES2CES1
SCHEMBL7410333 0.84 ELANE (0.50) TSHREPHX1SMN1; SMN2MEN1TP53
SCHEMBL8503544 0.84 BACE1 (0.52) EDNRAEDNRBTSHRCES2CES1
SCHEMBL8856846 0.84 BACE1 (0.52) EDNRAEDNRBTSHRCES2CES1
SCHEMBL7141149 0.84 BACE1 (0.52) EDNRAEDNRBTSHRCES2CES1
SCHEMBL8577007 0.84 PARP10 (0.48) EDNRAEDNRBTSHRCES2CES1

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780177-B1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORP (JP) 2016-03-23 EP claimed
EP-0498706-B2 Process for the preparation of (-)-(2R,3S)-2,3-epoxy-3-(4-methoxyphenyl)methylpropionate SYNTHELABO (FR) 2000-05-31 EP claimed
EP-0453330-B2 Process for the preparation of (-) (2R,3S)-2,3-epoxy-3-(4-methoxyphenyl) propionic acid methylester and its enantiomer SYNTHELABO (FR) 1997-12-03 EP claimed
EP-0609031-B1 Process for preparing benzothiazepine derivatives SHIONOGI & CO (JP) 1997-08-13 EP claimed
EP-0498706-A1 Process for the preparation of (-)-(2R,3S)-2,3-epoxy-3-(4-methoxyphenyl)methylpropionate SYNTHELABO (FR) 1992-08-12 EP claimed
EP-0453330-A1 Process for the preparation of (-) (2R,3S)-2,3-epoxy-3-(4-methoxyphenyl) propionic acid methylester and its enantiomer SYNTHELABO (FR) 1991-10-23 EP claimed
US-4885375-A Resolution of 3-(4-methoxyphenyl)glycidic acid with in situ conversion to alkyl esters MARION LABORATORIES, INC. (US) 1989-12-05 US claimed
EP-0342902-A2 2-Hydroxy-propanoic acid acyclic alkyl esters for benzothiazepines MARION LABORATORIES, INC. (a Delaware corporation) (US) 1989-11-23 EP claimed
JP-61145173-A None JP disclosed
JP-9255673-A None JP disclosed
JP-9255672-A None JP disclosed
JP-2231480-A None JP disclosed
JP-58194872-A None JP disclosed
JP-6298751-A None JP disclosed
EP-0156734-A2 Triazolo[4,3-b]pyridazines, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1985-10-02 EP disclosed
EP-0154838-A1 Novel 1,5-benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1985-09-18 EP disclosed
EP-0127882-A1 Novel 8-chloro-1,5-benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-12 EP disclosed
US-4420628-A Process for preparing threo-2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)-propionic ester TANABE SEIYAKU CO., LTD. (JP) 1983-12-13 US disclosed
JP-S58194872-A PREPARATION OF BENZOTHIAZEPINE DERIVATIVE TOKAWA TETSUO 1983-11-12 JP disclosed
JP-H00678790-A 0001-01-01 JP disclosed