SCHEMBL3323839

SCHEMBL3323839

CCc1ccc(OC(C)OCCOc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
DHFR P00374 2/20 0.41
BACE1 P56817 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARD Q03181 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL3323842 0.90 CHRNB2 (0.44) LTA4HPPARGPPARAKDM4EPPARD
SCHEMBL2758499 0.85 SLC7A5 (0.41) LTA4HDHFRBACE1RXRARXRB
SCHEMBL14287836 0.84 LTA4H (0.51) LTA4HPPARGPPARAKDM4EPPARD
SCHEMBL14113260 0.82 PPARA (0.39) PPARGPPARAKDM4EPPARDLMNA
SCHEMBL3326703 0.81 NPSR1 (0.46) FFAR1NPSR1LMNAMAPK1L3MBTL1
SCHEMBL3321951 0.80 ADRB2 (0.46) KDM4ELMNAMAPK1
SCHEMBL2758506 0.77 SLC7A5 (0.42) LMNA
SCHEMBL3304672 0.76 FFAR1 (0.38) PPARGPPARAFFAR4FFAR1PPARD
SCHEMBL3321919 0.75 CYP2D6 (0.40) PPARGPPARAKDM4ENPSR1PPARD
SCHEMBL3299018 0.75 HTR1B (0.48)

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-20120003585-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed