SCHEMBL4201879

SCHEMBL4201879

C=Cc1cccc2ccccc12.Oc1ccc2c3c(cccc13)C=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
APP P05067 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SNCA P37840 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.36
ESR2 Q92731 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL4019967 0.82 CYP1A2 (0.40) CYP1A2APPMAPTTHRBHPGD
SCHEMBL4017834 0.79 CYP1A2 (0.57) CYP1A2PTPN22ACHEPOLBCRHBP
SCHEMBL924802 0.79 HSD17B10 (0.50) CYP1A2APPMAPTTHRBHPGD
SCHEMBL119729 0.79 RECQL (0.58) CYP1A2APPMAPTTHRBHPGD
SCHEMBL15900346 0.77 CYP1A2 (0.54) CYP1A2PTPN22ESR2ACHEPOLB
SCHEMBL5380847 0.77 ALDH1A1 (0.31)
SCHEMBL14912 0.77 SIRT2 (0.50) CYP1A2HPGDTSHRHSD17B10TDP1
SCHEMBL6863260 0.77 SIRT2 (0.50) CYP1A2HPGDTSHRHSD17B10TDP1
SCHEMBL31610342 0.77 SIRT2 (0.50) CYP1A2HPGDTSHRHSD17B10TDP1
SCHEMBL29357296 0.77 SIRT2 (0.50) CYP1A2HPGDTSHRHSD17B10TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003148-B1 RADIATION-SENSITIVE RESIN COMPOSITION COMPRISING A FLUORINE-CONTAINING POLYMER JSR CORP (JP) 2017-07-19 EP disclosed
EP-2003148-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2009-04-22 EP disclosed
EP-2003148-A2 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-12-17 EP disclosed