SCHEMBL4887840

SCHEMBL4887840

C=CC(=O)On1c(=O)[nH]c(=O)n(CC)c1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL28294423 0.85 HTT (0.39) APEX1KDM4EALDH1A1HTTMAPT
SCHEMBL15191893 0.82 TSHR (0.35) ALDH1A1HPGDTSHR
SCHEMBL290140 0.73
SCHEMBL27926148 0.72
Trimethylammonium SCHEMBL27845120 0.71
SCHEMBL452728 0.70 TSHR (0.34) ALDH1A1HPGDTSHR
SCHEMBL633733 0.70 CYP1A2 (0.47) APEX1KDM4EALDH1A1HTTPOLB
SCHEMBL13661089 0.70 CYP3A4 (0.58) KDM4EALDH1A1HTTPOLBMAPT
SCHEMBL7940751 0.68 TSHR (0.37) ALDH1A1TSHR
SCHEMBL10565144 0.68 TYMP (0.40) KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080131812-A1 Resin for printing plate material and lithographic printing plate material by use thereof KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-06-05 US disclosed
CN-101165091-A Thermosetting resin composition, method of forming protective film for color filter and the protective film JSR CORP (JP) 2008-04-23 CN disclosed