SCHEMBL4449178

SCHEMBL4449178

COC(=O)[CH]C(C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CA14 Q9ULX7 2/20 0.38
CA12 O43570 1/20 0.35
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL6861085 0.82 HCAR2 (0.42) HCAR2SMN1; SMN2CA14CA12TSHR
SCHEMBL11471021 0.77 HCAR2 (0.46) HCAR2KEAP1NFE2L2SMN1; SMN2CA14
SCHEMBL10347907 0.76 HCAR2 (0.52) HCAR2KEAP1NFE2L2SMN1; SMN2CA14
SCHEMBL10347908 0.76 HCAR2 (0.52) HCAR2KEAP1NFE2L2SMN1; SMN2CA14
SCHEMBL129162 0.76
SCHEMBL6648517 0.76 SMN1; SMN2 (0.46) HCAR2KEAP1NFE2L2SMN1; SMN2CA14
SCHEMBL6852534 0.76 SMN1; SMN2 (0.46) HCAR2KEAP1NFE2L2SMN1; SMN2CA14
SCHEMBL9087471 0.75 HCAR2 (0.43) HCAR2KEAP1NFE2L2SMN1; SMN2CA14
SCHEMBL222114 0.74
SCHEMBL1555007 0.74

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
US-20120298007-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2012-11-29 US disclosed
US-20090306361-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2009-12-10 US disclosed
US-20060233973-A1 Cellulose ester film, manufacturing method thereof, optical film, polarizing plate and liquid crystal display KONICA MINOLTA OPTO, INC. 2006-10-19 US disclosed