SCHEMBL1402253

SCHEMBL1402253

CC(C)CCCCCCOc1cccc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
CNR1 P21554 3/20 0.50
CNR2 P34972 3/20 0.50
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
RARB P10826 1/20 0.46
PRSS1 P07477 2/20 0.44
APP P05067 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL1402311 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CNR1CNR2MTNR1A
SCHEMBL11574802 0.93 CHRNB2 (0.58) CHRNB2CHRNA4CNR1CNR2MTNR1A
1-Hydroxy-3-Isopentoxybenzene SCHEMBL2850085 0.88 CHRNB2 (0.60) CHRNB2CHRNA4DRD2DRD4ADRA1D
SCHEMBL17138218 0.86 RARB (0.49) RARBPRSS1TSHRMAPK1L3MBTL1
SCHEMBL11243720 0.86 CHRNB2 (0.65) CHRNB2CHRNA4CNR1CNR2MTNR1A
SCHEMBL16902832 0.86 CHRNB2 (0.65) CHRNB2CHRNA4CNR1CNR2MTNR1A
SCHEMBL16902831 0.86 CHRNB2 (0.65) CHRNB2CHRNA4CNR1CNR2MTNR1A
SCHEMBL16902829 0.86 CHRNB2 (0.65) CHRNB2CHRNA4CNR1CNR2MTNR1A
SCHEMBL9009814 0.86 CHRNB2 (0.65) CHRNB2CHRNA4CNR1CNR2MTNR1A
SCHEMBL9126822 0.86 CHRNB2 (0.65) CHRNB2CHRNA4CNR1CNR2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292208-B1 EXTERNAL PREPARATION FOR SKIN SHISEIDO CO LTD (JP) 2017-07-19 EP disclosed
EP-2292208-A1 EXTERNAL PREPARATION FOR SKIN Shiseido Company, Ltd. (JP) 2011-03-09 EP disclosed