SCHEMBL22707754

SCHEMBL22707754

CC1(C)c2ccccc2Oc2cccc(-c3cccc4c(-c5c6cccc(-c7ccc8ccccc8c7)c6cc6c(-c7ccc8ccccc8c7)cccc56)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6O7)c5cc34)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
GSTP1 P09211 1/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
S1PR5 Q9H228 4/20 0.31
S1PR4 O95977 3/20 0.31
PRKDC P78527 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30

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
SCHEMBL22706770 0.94 LPL (0.33) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL22705919 0.91 ALOX5 (0.33)
SCHEMBL22705901 0.88 MAOA (0.35) GPR84SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL22705900 0.88 GPR84 (0.36) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL22707463 0.87 GPR84 (0.33) GPR84PRKDC
SCHEMBL22706497 0.87 CES1 (0.35) GPR84CYP1A2
SCHEMBL22707470 0.84 GPR84 (0.31) GPR84CYP2C9
SCHEMBL22706069 0.84 MAOA (0.34) GPR84SLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL22707996 0.84 GPR84 (0.35) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL22707220 0.83 BACE1 (0.31) GPR84CYP2C9

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed