SCHEMBL8770864

SCHEMBL8770864

COc1ccccc1C(O)CC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
PPARG P37231 1/20 0.40
CACNA1B Q00975 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL8770909 0.84 HTT (0.51) POLBHTTNPSR1L3MBTL1PPARG
SCHEMBL8770890 0.84 RXRA (0.43) L3MBTL1ITGA4ITGB7KDM4E
SCHEMBL28742011 0.84 POLB (0.46) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL8770985 0.83 ADRA1A (0.58) HTTMTNR1AMTNR1BLMNACYP1A2
SCHEMBL8770941 0.83 ADRA1A (0.44) MTNR1AMTNR1BLMNACYP1A2ALDH1A1
SCHEMBL8770906 0.82 ADRB2 (0.51)
SCHEMBL8771331 0.82 HTT (0.42) HTTMTNR1AMTNR1BRAB9A
SCHEMBL8770923 0.82 CES2 (0.41)
SCHEMBL21656592 0.81 POLB (0.50) POLBHTTNPSR1L3MBTL1MTNR1A
SCHEMBL27574663 0.80 POLB (0.54) POLBHTTNPSR1L3MBTL1MTNR1A

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