SCHEMBL13163602

SCHEMBL13163602

COc1cccc(-c2cccc(-c3cccc(OC)c3)c2OCCOC(C)Oc2ccc(C(C=C(C)C)C(C)(C)C)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C1 Q04828 1/20 0.37
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
FFAR1 O14842 4/20 0.32
MAPK1 P28482 1/20 0.32
GNA15 P30679 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 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 0.83 ABCB11 (0.39) AKR1C3AKR1C2AKR1C1PTGS2
SCHEMBL14220554 0.82 AHR (0.34) FFAR1NPSR1
SCHEMBL14220556 0.81 CD274 (0.34) AKR1C3AKR1C2CD274
SCHEMBL682270 0.81 AKR1C3 (0.39) AKR1C3AKR1C2AKR1C4AKR1C1SMARCA2
SCHEMBL14220807 0.77 PDE4A (0.33) CD274PTGS2
SCHEMBL13163607 0.77 KDM4E (0.40) AKR1C3AKR1C2MAPK1KDM4EALDH1A1
SCHEMBL16382401 0.77 AKR1C3 (0.36) AKR1C3AKR1C2AKR1C4AKR1C1SMARCA2
SCHEMBL14219874 0.72 LMNA (0.33) AKR1C3AKR1C2FFAR1
SCHEMBL13359780 0.72 PPARA (0.35) FFAR1
SCHEMBL18746063 0.72 PPARA (0.35) FFAR1

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
WO-2010104218-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-09-16 WO disclosed