SCHEMBL3321998

SCHEMBL3321998

CCc1ccc(OC(C)OCCOCc2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTR2A P28223 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
MAPT P10636 2/20 0.31
THRB P10828 2/20 0.31
POLB P06746 2/20 0.31
KIF11 P52732 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 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
SCHEMBL683642 0.86 SLC7A5 (0.37) PPARGPPARAL3MBTL1HTR2AMAPT
SCHEMBL3326537 0.85 CYP1A2 (0.49) CYP1A2CYP2A6PPARGPPARAADRB2
SCHEMBL3325903 0.83 CYP1A2 (0.36) CYP1A2CYP2A6PPARGPPARAHTR2A
SCHEMBL13152625 0.79 L3MBTL1 (0.43) CYP1A2CYP2A6L3MBTL1HTR2AMAPT
SCHEMBL13163604 0.78
SCHEMBL8374962 0.78 HTR2A (0.42) ADRB2ADRB1ADRB3L3MBTL1HTR2A
SCHEMBL3299018 0.76 HTR1B (0.48)
SCHEMBL3322395 0.74 CYP1A2 (0.44) CYP1A2CYP2A6PPARGPPARAHTR2A
SCHEMBL10182886 0.74 SLC7A5 (0.41) PPARGPPARAL3MBTL1HTR2AMAPT
SCHEMBL3325906 0.74 PPARA (0.43) PPARGPPARA

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