SCHEMBL8770978

SCHEMBL8770978

COC(=O)CC(O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
FFAR1 O14842 2/20 0.54
LTA4H P09960 2/20 0.53
ALOX5 P09917 1/20 0.52
ALDH1A1 P00352 2/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
ACACB O00763 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51

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
SCHEMBL1508259 1.00 MAOB (0.57) MAOBNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL232540 0.86 LMNA (0.59) MAOBFFAR1ALOX5ALDH1A1NR4A1
SCHEMBL10317574 0.85 FFAR1 (0.63) MAOBSMN1; SMN2FFAR1LTA4HALOX5
SCHEMBL8771189 0.85 FFAR1 (0.63) MAOBSMN1; SMN2FFAR1LTA4HALOX5
SCHEMBL8770928 0.85 FFAR1 (0.51) MAOBFFAR1LTA4HALOX5NR4A1
SCHEMBL8770884 0.85 KMT2A (0.60) MAOBSMN1; SMN2ALOX5NR4A2
SCHEMBL2985256 0.85 MAOB (0.56) MAOBNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL17386273 0.84 PRKCA (0.64) MAOBNPC1RAB9ASMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL8324561 0.84 MAOB (0.55) MAOBNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL17386272 0.84 PRKCA (0.64) MAOBNPC1RAB9ASMN1; SMN2FFAR1

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