SCHEMBL10079245

SCHEMBL10079245

COc1ccc(/C=C(\C(=O)OC2CC(C)(C)NC(C)(C)C2)C(OO)C2CC(C)(C)NC(C)(C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
EZH2 Q15910 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
METAP1 P53582 1/20 0.32
F3 P13726 1/20 0.32
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
SCHEMBL5648710 0.82 GAA (0.46) GAAATML3MBTL1ALDH1A1KDM4E
SCHEMBL13433229 0.76 GAA (0.41) GAAATML3MBTL1LMNAPOLB
SCHEMBL14007425 0.76 GAA (0.41) GAAATML3MBTL1LMNAPOLB
SCHEMBL9207159 0.73 HTT (0.55) GAAATMLMNAALDH1A1MAPT
SCHEMBL9207163 0.73 HTT (0.55) GAAATMLMNAALDH1A1MAPT
SCHEMBL28000710 0.70 GAA (0.71) GAAATML3MBTL1KDM4ETSHR
SCHEMBL13148368 0.69 ALDH1A1 (0.40) GAAALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL10085542 0.68 ATM (0.39) ATML3MBTL1LMNAPOLBALDH1A1
SCHEMBL78186 0.67 HTT (0.40) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL134388 0.65 GAA (0.56) GAAATML3MBTL1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158212-B2 Ink composition, inkjet recording method, and printed material FUJIFILM CORPORATION (JP) 2012-04-17 US disclosed