SCHEMBL14422736

SCHEMBL14422736

C=C(C)C(=O)OCCS(=O)(=O)Nc1ccc2c(c1)n1n(-c3cc(C(C)(C)C)ccc3O)n21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TRIM24 O15164 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PLG P00747 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ KLK1 P06870 1/20 0.30
▸ KLK6 Q92876 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
SCHEMBL14422758 0.81 LMNA (0.38) PTPN5ALDH1A1MAPTKDM4EMEN1
SCHEMBL13159278 0.80 POLB (0.34) CA12CA1CA2CA7CA9
SCHEMBL812950 0.80 POLB (0.34) CA12CA1CA2CA7CA9
SCHEMBL14422744 0.79 ESRRG (0.41) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL14422746 0.78 SERPINE1 (0.34) CA12CA1CA2CA7CA9
SCHEMBL14422739 0.77 MAPT (0.38) ALDH1A1MAPTKDM4EPLGKLKB1
SCHEMBL813234 0.77 RXFP1 (0.39) NR1H4ALDH1A1MAPTKDM4EMEN1
SCHEMBL13159254 0.77 RXFP1 (0.39) NR1H4ALDH1A1MAPTKDM4EMEN1
SCHEMBL14422737 0.77 ANO1 (0.34) NR1H4ALDH1A1MAPTKDM4EMEN1
SCHEMBL14422751 0.76 EPHX2 (0.32) PTPN5EPHX2NR1H4ALDH1A1KDM4E

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-20070218218-A1 Cellulose acylate optical film, producing method thereof, polarizing plate and liquid crystal display using the same KONICA MINOLTA OPTO, INC. (JP) 2007-09-20 — — US disclosed
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