SCHEMBL8771236

SCHEMBL8771236

COc1cccc(C(O)CC(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.75
AOC3 Q16853 2/20 0.59
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
LMNA P02545 1/20 0.53
MTNR1A P48039 4/20 0.52
MTNR1B P49286 4/20 0.52
FFAR1 O14842 3/20 0.51
CTSA P10619 1/20 0.49
GRIN2B Q13224 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL27553225 0.89 L3MBTL1 (0.77) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL27553226 0.89 L3MBTL1 (0.77) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL9393589 0.87 L3MBTL1 (0.60) L3MBTL1AOC3LMNAMTNR1AMTNR1B
SCHEMBL8770883 0.86 L3MBTL1 (0.73) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL3443105 0.86 L3MBTL1 (1.00) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL5858110 0.85 L3MBTL1 (0.59) L3MBTL1AOC3LMNAMTNR1AMTNR1B
SCHEMBL11436414 0.84 L3MBTL1 (0.62) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL11436413 0.84 L3MBTL1 (0.62) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL11436469 0.84 L3MBTL1 (0.62) L3MBTL1AOC3CHRM2CHRM1CHRM3
SCHEMBL12191891 0.84 L3MBTL1 (0.57) L3MBTL1AOC3LMNAMTNR1AMTNR1B

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