SCHEMBL14220554

SCHEMBL14220554

COc1cc(OC)cc(OCCOC(C)Oc2ccc(C(C=C(C)C)C(C)(C)C)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.34
FFAR1 O14842 3/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NQO2 P16083 1/20 0.31
HDAC3 O15379 1/20 0.31
STAT3 P40763 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MAOB P27338 2/20 0.31

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
SCHEMBL13163609 0.91 ABCB11 (0.39) ABCB11
SCHEMBL13163607 0.85 KDM4E (0.40) PPARGPPARDPPARA
SCHEMBL13163602 0.82 AKR1C3 (0.37) FFAR1NPSR1
SCHEMBL14219874 0.80 LMNA (0.33) FFAR1
SCHEMBL14219818 0.79 HRH3 (0.38) PPARGPPARA
SCHEMBL13588182 0.76 ALDH1A1 (0.43) FFAR1NPSR1NQO2
SCHEMBL10148540 0.76 ALDH1A1 (0.43) AHRNPSR1CHRNA7CHRNB2CHRNB4
SCHEMBL14219881 0.76 NFE2L2 (0.35) FFAR1PPARGPPARDPPARA
SCHEMBL13163604 0.75
SCHEMBL14220586 0.75 SLC2A1 (0.33)

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
EP-1906241-A1 Resist composition and pattern forming method using the same FUJIFILM Corporation (JP) 2008-04-02 EP disclosed