SCHEMBL6553650

SCHEMBL6553650

CCOC(=O)C(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
LMNA P02545 4/20 0.34
THRB P10828 1/20 0.34
CTSB P07858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NOTUM Q6P988 3/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.33
CMA1 P23946 3/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6553961 0.92 LMNA (0.36) LMNATHRBCTSBTDP1NOTUM
SCHEMBL5691797 0.91 LMNA (0.39) LMNATHRBCTSBTDP1NOTUM
SCHEMBL7949966 0.91 LMNA (0.39) LMNATHRBCTSBTDP1NOTUM
SCHEMBL6699195 0.89 CYP4F2 (0.44) CYP4F2CYP4A11BAZ2BBAZ2ALMNA
SCHEMBL2968009 0.89 LMNA (0.36) LMNATHRBCTSBTDP1NOTUM
SCHEMBL2964906 0.89 TDP1 (0.36) LMNATHRBCTSBTDP1NOTUM
SCHEMBL2966447 0.89 LMNA (0.36) LMNATHRBCTSBTDP1NOTUM
SCHEMBL6552716 0.89 LMNA (0.36) LMNATHRBCTSBTDP1NOTUM
SCHEMBL2961429 0.89 TDP1 (0.36) LMNATHRBCTSBTDP1NOTUM
SCHEMBL6552521 0.88 CYP4F2 (0.33) CYP4F2CYP4A11BAZ2BBAZ2ALMNA

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
EP-0436680-B1 HETEROCYCLIC COMPOUNDS CIBA GEIGY AG (CH) 1994-09-07 EP claimed
EP-1206185-B1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS BAYER CROPSCIENCE GMBH (DE) 2004-02-18 EP disclosed
EP-1206185-A1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS Aventis CropScience GmbH (DE) 2002-05-22 EP disclosed
WO-2001008487-A1 COMBINATIONS CONSISTING OF HERBICIDES AND SAFENERS AVENTIS CROPSCIENCE GMBH (DE) 2001-02-08 WO disclosed
US-5183492-A Herbicides as enol ethers CIBA-GEIGY CORPORATION (US) 1993-02-02 US disclosed