SCHEMBL6827468

SCHEMBL6827468

CCC(C)COc1cc(-c2ccccc2)c(OCC(C)CC)c(OCC(C)CC)c1OCC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
MCHR1 Q99705 1/20 0.41
FFAR1 O14842 1/20 0.38
GPR88 Q9GZN0 8/20 0.38
CYP2D6 P10635 1/20 0.36
IGF1R P08069 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
BACE1 P56817 1/20 0.35
ADRB2 P07550 3/20 0.35
ADRB1 P08588 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
SCN4A P35499 1/20 0.33

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
SCHEMBL10349824 0.81 MCHR1 (0.45) TLR8MCHR1FFAR1CYP2D6IGF1R
SCHEMBL27315842 0.80 ADRB2 (0.51) TLR8MCHR1KDM4EPKMADRB2
SCHEMBL8219663 0.75 ESR2 (0.45) TLR8MCHR1FFAR1GPR88CYP2D6
SCHEMBL14364260 0.75 MCHR1 (0.45) TLR8MCHR1FFAR1IGF1RKDM4E
SCHEMBL19056886 0.74 CYP1A2 (0.45) TLR8KDM4EADRB2
SCHEMBL5649980 0.73 TLR8 (0.54) TLR8MCHR1FFAR1IGF1RKDM4E
SCHEMBL10905811 0.72 EGFR (0.53) FFAR1KDM4EPKM
SCHEMBL10349822 0.72 TLR8 (0.50) TLR8MCHR1FFAR1IGF1RKDM4E
SCHEMBL10429752 0.71 FFAR1 (0.39) TLR8FFAR1GPR88CYP2D6KDM4E
SCHEMBL31644115 0.70 MGAM (0.51)

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-1381639-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-01-21 EP disclosed
WO-2002077060-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-10-03 WO disclosed