SCHEMBL8770890

SCHEMBL8770890

CC(C)(C)OC(=O)CC(O)c1ccccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
BRD4 O60885 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LIPE Q05469 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40

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
SCHEMBL8770885 0.85 BRD4 (0.49) RXRABRD4TDP1KDM4ESGMS2
SCHEMBL8770864 0.84 POLB (0.47) KDM4EL3MBTL1ITGA4ITGB7
SCHEMBL8770936 0.83 MRGPRX4 (0.47) RXRARXRBRXRGBRD4TDP1
SCHEMBL8770957 0.82 PTGER1 (0.49) BRD4TDP1KDM4ELIPEPTGER1
SCHEMBL12322222 0.81 SYK (0.54) RXRARXRBRXRGBRD4TDP1
SCHEMBL8770928 0.80 FFAR1 (0.51) KDM4EMAPT
SCHEMBL8770948 0.77 KMT2A (0.56) L3MBTL1
SCHEMBL2887009 0.76 PTGER1 (0.43) TDP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL31561737 0.76 MAPT (0.51) BRD4TDP1KDM4ELIPEMAPT
SCHEMBL3424561 0.75 TDP1 (0.50) RXRARXRBRXRGBRD4TDP1

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
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 EP disclosed