SCHEMBL6137047

SCHEMBL6137047

CCOc1nn(Cc2cc(C(F)(F)F)ccc2C(=O)C2C(=O)CCCC2=O)c(=O)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.45
PPARD Q03181 5/20 0.35
PPARA Q07869 5/20 0.35
PPARG P37231 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MAOB P27338 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 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
SCHEMBL5419988 0.85 PPARD (0.41) PPARDPPARAPPARGALDH1A1CYP2C9
SCHEMBL6645908 0.75 PPARD (0.43) PPARDPPARAALDH1A1CYP2C19KDM4E
SCHEMBL28751529 0.70 HPD (0.50) HPDKMT2A
SCHEMBL5408510 0.70 KDM4E (0.39) PPARDPPARAPPARGNPSR1MAPT
SCHEMBL13744948 0.70 HPD (0.52) HPDPPARGALDH1A1KDM4EHPGD
SCHEMBL6296496 0.66 CFTR (0.44) PPARDPPARAPPARGLMNAKDM4E
SCHEMBL9134337 0.66 HPD (0.64) HPDLMNAMAPTKDM4E
SCHEMBL6801740 0.65 HPD (0.44) HPDMEN1KMT2A
SCHEMBL6801753 0.65 HPD (0.44) HPDMEN1KMT2A
SCHEMBL6706312 0.65 HPD (0.48) HPDCYP1A2MEN1KMT2ACRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946168-B2 Photochromic phthalein dyes encapsulated in curable oligomers used as coatings on geometric shaped suports as designs THE PILOT INK CO., LTD. (JP) 2005-09-20 US disclosed
US-6924251-B1 Substituted benzoylcyclohexandiones BAYER AKTIENGESELLSCHAFT (DE) 2005-08-02 US disclosed
EP-1100789-B1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER CROPSCIENCE AG (DE) 2005-02-09 EP disclosed
US-20040077743-A1 Photochromic phthalein dyes encapsulated in curable oligomers used as coatings on geometric shaped suports as designs THE PILOT INK CO., LTD. 2004-04-22 US disclosed
CN-1310714-A Substituted Benzoylcyclohexanediones BAYER AG (DE) 2001-08-29 CN disclosed
EP-1100789-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AG (DE) 2001-05-23 EP disclosed
WO-2000005221-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-03 WO disclosed