SCHEMBL669372

SCHEMBL669372

CCc1cc(C=O)c(OC)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.66
TUBB1 Q9H4B7 2/20 0.50
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ERN1 O75460 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PRKDC P78527 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
AOC3 Q16853 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10119938 0.89 PTGS2 (0.52) PTGS2TUBB1LMNAMAPTERN1
SCHEMBL14231397 0.86 TUBB1 (0.50) PTGS2TUBB1LMNAMAPTERN1
SCHEMBL18400706 0.84 TUBB1 (0.49) PTGS2TUBB1LMNAMAPTERN1
SCHEMBL28721890 0.81 ALDH1A1 (0.51) PTGS2TUBB1LMNAMAPTERN1
SCHEMBL31130497 0.81 ALDH1A1 (0.51) PTGS2TUBB1LMNAMAPTERN1
SCHEMBL2919357 0.81 PTGS2 (0.48) PTGS2TUBB1LMNAMAPTERN1
SCHEMBL5644612 0.81 LMNA (0.69) LMNAMAPTERN1
SCHEMBL30374 0.80 PTGS2 (1.00) PTGS2TUBB1MAPTKDM4EHTR2A
SCHEMBL13362321 0.78 TUBB1 (0.44) PTGS2TUBB1LMNAMAPTERN1
SCHEMBL13920937 0.77 PTGS2 (0.57) PTGS2TUBB1LMNAMAPTERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656969-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2017-05-23 US disclosed
US-9579332-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2017-02-28 US disclosed
EP-2606176-A1 THERMAL TREATMENT Aston University (GB) 2013-06-26 EP disclosed
WO-2012022949-A1 THERMAL TREATMENT ASTON UNIVERSITY (GB) 2012-02-23 WO disclosed