SCHEMBL8716922

SCHEMBL8716922

CC(Cc1ccccc1OCc1ccccc1)[C@@H](N)[C@H](O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.47
F11 P03951 2/20 0.47
TPSB2 P20231 2/20 0.47
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
GAA P10253 2/20 0.43
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
LIPE Q05469 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL8716924 1.00 CFD (0.47) CFDF11TPSB2MMEACE
SCHEMBL8714445 0.89 ADRB3 (0.49) CFDF11TPSB2MMEACE
SCHEMBL8714447 0.89 ADRB3 (0.49) CFDF11TPSB2MMEACE
SCHEMBL8720035 0.84 ATM (0.46) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL8720039 0.84 ATM (0.46) MEN1KMT2AL3MBTL1KDM4ELMNA
SCHEMBL8713614 0.83 ABCB1 (0.43) MMEACECPA1ACE2HTR1A
SCHEMBL8713617 0.83 ABCB1 (0.43) MMEACECPA1ACE2HTR1A
SCHEMBL8713626 0.81 SGMS2 (0.43) CFDF11TPSB2MMEACE
SCHEMBL8713629 0.81 SGMS2 (0.43) CFDF11TPSB2MMEACE
SCHEMBL8718467 0.81 LTA4H (0.54) MEN1KMT2AMAPK1

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