SCHEMBL8713631

SCHEMBL8713631

Cc1ccccc1CC(C)(C[C@H](N)O)c1ccccc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
SGMS2 Q8NHU3 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC1A5 Q15758 2/20 0.38
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.38
LIPE Q05469 1/20 0.37
SCN4A P35499 2/20 0.37
CFD P00746 1/20 0.37
F11 P03951 1/20 0.37
TPSB2 P20231 1/20 0.37
GAA P10253 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL8713622 0.89 ABCB1 (0.42) RXRARXRBRXRGSGMS2L3MBTL1
SCHEMBL8716231 0.88 RXRA (0.41) RXRARXRBRXRGSGMS2MAPT
SCHEMBL8714179 0.84 NR3C1 (0.46) MAPTSCN4AGAA
SCHEMBL8714096 0.81 ADRB2 (0.38) TDP1GAA
SCHEMBL8716927 0.81 HTR1A (0.44) MAPTMAPK1TDP1L3MBTL1SLC1A5
SCHEMBL8718108 0.79 ABCB1 (0.46) RXRARXRBRXRG
SCHEMBL8715451 0.78 TAAR1 (0.37) TDP1GAA
SCHEMBL8716822 0.78 ADRB2 (0.39) MAPTMAPK1TDP1GAA
SCHEMBL8716634 0.77 NR3C1 (0.38) MAPTMAPK1TDP1L3MBTL1GAA
SCHEMBL8718439 0.76 CYP2C19 (0.38) SCN4A

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