SCHEMBL8834943

SCHEMBL8834943

CC=CC(=O)OCCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.61
PPARA Q07869 1/20 0.58
AR P10275 15/20 0.55
MAOB P27338 1/20 0.53
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8834803 0.94 AGER (0.59) AGERPPARAARMAOBKDM4E
SCHEMBL8835233 0.91 AGER (0.62) AGERPPARAARMAOB
SCHEMBL7915805 0.87 AGER (0.67) AGERPPARAARMAOB
SCHEMBL8835405 0.85 AR (0.54) AGERPPARAARMAOBKDM4E
SCHEMBL8835021 0.85 KMT2A (0.60) ARMAOBKDM4EMEN1ALDH1A1
SCHEMBL8834871 0.82 KDM4E (0.59) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL7914253 0.82 AGER (0.62) AGERPPARAARMAOB
SCHEMBL4579567 0.81 AR (0.69) AGERPPARAARMAOB
SCHEMBL8835114 0.80 ALDH1A1 (0.65) MAOBKDM4EALDH1A1HPGDKMT2A
SCHEMBL8834965 0.80 MAOB (0.58) ARMAOBKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783537-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1997-07-16 EP claimed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO claimed
EP-0783537-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1997-07-16 EP disclosed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO disclosed