SCHEMBL8413671

SCHEMBL8413671

OCCOc1ccc(C=Cc2ncnc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.37
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
APP P05067 2/20 0.34
ALB P02768 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA7 P36544 2/20 0.33
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL8021069 0.88 PPARA (0.38) PPARAALDH1A1RECQLAPPCYP3A4
SCHEMBL195709 0.88 PPARA (0.38) PPARAALDH1A1RECQLAPPCYP3A4
SCHEMBL8990592 0.85 CYSLTR2 (0.42) ALDH1A1RECQLSMN1; SMN2PDE3BPDE3A
SCHEMBL8083916 0.82 PPARA (0.40) PPARAAPPALBPTGS1PTGS2
SCHEMBL8083921 0.82 PPARA (0.40) PPARAAPPALBPTGS1PTGS2
SCHEMBL15849069 0.81 PPARA (0.34) PPARAALDH1A1RECQLAPPCYP3A4
SCHEMBL3631929 0.81 MAPT (0.46) ALDH1A1CYP3A4SMN1; SMN2PTGS1PTGS2
SCHEMBL2176634 0.81 MAPT (0.46) ALDH1A1CYP3A4SMN1; SMN2PTGS1PTGS2
SCHEMBL8087287 0.81 PPARA (0.41) PPARAAPPALBCHRNA7
SCHEMBL8088778 0.80 PPARA (0.40) PPARAAPPALBCHRNA7CHRNA10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1618031-A Process for preparing a k-type polarizer 3M INNOVATIVE PROPERTIES CO (US) 2005-05-18 CN disclosed
US-5925497-A COATING MADE BY REACTING ISOCYANATE GROUPS FROM ETHYLENICALLY UNSATURATED PHOTOCURABLE GROUPS WITH A CARBOXY GROUP OF A POLYALKENOIC ACID CURABLE UPON EXPOSURE TO RADIATION; NO PROCESSING REQUIRED PRIOR TO BEING RUN ON A PRESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-20 US disclosed
US-5910395-A COATING PHOTOSENSITIVE COMPOSITION ON SUBSTRATE, PHOTOCURING WITH RADIATION; PLATES DO NOT REQUIRE PROCESSING PRIOR TO BEING RUN ON PRESS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-08 US disclosed
US-5849462-A Negative-acting no-process printing plates MINNESOTA MINING & MANUFACTURING COMPANY (US) 1998-12-15 US disclosed
CN-1182485-A Negative-acting no-process printing plates MINNESOTA MINING & MFG (US) 1998-05-20 CN disclosed