SCHEMBL3728800

SCHEMBL3728800

O=C(O)CC(CO)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.68
GABBR1 Q9UBS5 4/20 0.68
MAPT P10636 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8536948 0.89 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL503819 0.89 GABBR2 (0.76) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL6734410 0.86 GABBR2 (0.73) GABBR2GABBR1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7092228 0.86 GABBR2 (0.73) GABBR2GABBR1MAPTMEN1KMT2A
Alcohol SCHEMBL28575312 0.85 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL8192677 0.83 CYP2D6 (0.56) GABBR2GABBR1MAPTLMNACYP2C19
SCHEMBL1059563 0.83 CYP2D6 (0.56) GABBR2GABBR1MAPTLMNACYP2C19
SCHEMBL4445085 0.83 GABBR2 (0.48) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL8187229 0.83 CYP2D6 (0.56) GABBR2GABBR1MAPTLMNACYP2C19
SCHEMBL1923826 0.83 GABBR2 (0.63) GABBR2GABBR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238107-A1 PROCESS FOR THE MANUFACTURE OF A 6-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2010-10-13 EP claimed
WO-2009092580-A1 PROCESS FOR THE MANUFACTURE OF A 6-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 WO claimed
JP-11315064-A None JP disclosed
CN-111083927-A Lipophilic macrocyclic ligands, complexes thereof and medical uses thereof 法国加柏公司 2020-04-28 CN disclosed
CN-100546969-C Split the method for 2-methylol-3-phenylpropionic acid optical isomer SHANGHAI INST OF MEDICINE INDU (CN) 2009-10-07 CN disclosed
CN-100546969-C Split the method for 2-methylol-3-phenylpropionic acid optical isomer SHANGHAI INST OF MEDICINE INDU (CN) 2009-10-07 CN disclosed
EP-0906900-B1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid AJINOMOTO KK (JP) 2002-01-23 EP disclosed
JP-H11315064-A PRODUCTION OF OPTICALLY ACTIVE PHENYLPROPIONIC ACID DERIVATIVE AJINOMOTO CO INC 1999-11-16 JP disclosed
EP-0906900-A1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid Ajinomoto Co., Inc. (JP) 1999-04-07 EP disclosed