SCHEMBL3325903

SCHEMBL3325903

CCc1ccc(OC(C)OCCOC(C)c2c3ccccc3cc3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
GUSB P08236 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
MAPT P10636 3/20 0.32
THRB P10828 1/20 0.32
KIF11 P52732 1/20 0.32
LMNA P02545 2/20 0.30
FFAR1 O14842 1/20 0.30
TP53 P04637 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2758486 0.85 SLC7A5 (0.39) PPARGPPARAMAPTTP53SMN1; SMN2
SCHEMBL3321998 0.83 CYP1A2 (0.35) CYP1A2CYP2A6PPARGPPARAGUSB
SCHEMBL3322395 0.81 CYP1A2 (0.44) CYP1A2CYP2A6PPARGPPARAHTR2A
SCHEMBL3299018 0.78 HTR1B (0.48)
SCHEMBL3326537 0.77 CYP1A2 (0.49) CYP1A2CYP2A6PPARGPPARAHTR2A
SCHEMBL3322916 0.75 DRD2 (0.39) CYP1A2CYP2A6PPARGPPARAMAPT
SCHEMBL3322408 0.73 ALDH1A1 (0.39) PPARGPPARASIRT1MAPTTHRB
SCHEMBL3321919 0.73 CYP2D6 (0.40) CYP1A2PPARGPPARA
SCHEMBL3325898 0.73 NQO1 (0.34) SIRT1TP53
SCHEMBL8516785 0.73 L3MBTL1 (0.42) CYP1A2CYP2A6LMNAHTR2A

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