SCHEMBL8770899

SCHEMBL8770899

COc1ccc(C(O)CC(=O)O)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.50
ADRA2A P08913 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
FFAR1 O14842 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8770954 0.88 ADRA1A (0.67) ADRA1AADRA2AHSD17B10LMNACYP1A2
SCHEMBL8770929 0.86 ADRA1A (0.49) ADRA1AADRA2ALMNACYP1A2TSHR
SCHEMBL2422169 0.84 HSD17B10 (0.50) ADRA1AADRA2AHSD17B10ALDH1A1FFAR1
SCHEMBL6761350 0.83 HSD17B10 (0.49) ADRA1AADRA2AHSD17B10ALDH1A1FFAR1
SCHEMBL6761354 0.83 HSD17B10 (0.49) ADRA1AADRA2AHSD17B10ALDH1A1FFAR1
SCHEMBL8770911 0.82 ADRA1A (0.46) ADRA1AADRA2ALMNACYP1A2TSHR
SCHEMBL8121345 0.82 HSD17B10 (0.48) ADRA1AADRA2AHSD17B10ALDH1A1FFAR1
SCHEMBL2975604 0.82 ADRA1A (0.57) ADRA1AADRA2ALMNACYP1A2TSHR
SCHEMBL29684720 0.82 ADRA1A (0.57) ADRA1AADRA2ALMNACYP1A2TSHR
SCHEMBL8770941 0.81 ADRA1A (0.44) ADRA1AADRA2ALMNACYP1A2TSHR

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