SCHEMBL8716504

SCHEMBL8716504

CC(Cc1ccc(OCCO)cc1)[C@@H](N)[C@H](O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 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
SCHEMBL8716507 1.00 ADRB2 (0.47) ADRB2ADRB1ADRB3ALDH1A1RECQL
SCHEMBL8716638 0.87 ADRB2 (0.62) ADRB2ADRB1ADRB3HIF1ACYP2D6
SCHEMBL8716636 0.87 ADRB2 (0.62) ADRB2ADRB1ADRB3HIF1ACYP2D6
SCHEMBL8718471 0.86 LTA4H (0.54) PPARGPPARAMEN1POLBMAPK1
SCHEMBL8718467 0.86 LTA4H (0.54) PPARGPPARAMEN1POLBMAPK1
SCHEMBL8716601 0.84 SLC6A4 (0.53) ALDH1A1PPARGPPARAADRA2AADRA2C
SCHEMBL8716604 0.84 SLC6A4 (0.53) ALDH1A1PPARGPPARAADRA2AADRA2C
SCHEMBL8716539 0.84 NPY5R (0.41) ALDH1A1ADRA2AADRA2CLMNAHIF1A
SCHEMBL8716542 0.84 NPY5R (0.41) ALDH1A1ADRA2AADRA2CLMNAHIF1A
SCHEMBL8713316 0.82 ALDH1A1 (0.52) ADRB1ADRB3ALDH1A1ADRA2AADRA2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed