SCHEMBL22170331

SCHEMBL22170331

O=C1Oc2c3c(ccc2=C1c1ccccc1)=C(c1ccccc1)C(=O)O3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
KMT2A Q03164 3/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PDE4B Q07343 1/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR4 P22455 2/20 0.38
FGFR3 P22607 2/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
SRC P12931 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
MITF O75030 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL15714991 0.91 PTGS2 (0.43) PTGS2KMT2AHSP90AA1HSP90AB1PDE4B
SCHEMBL29544302 0.89 PTGS2 (0.46) PTGS2KMT2AHSP90AA1HSP90AB1PDE4B
SCHEMBL22170333 0.82 PTGS2 (0.45) PTGS2KMT2AHSP90AA1HSP90AB1FGFR1
SCHEMBL571569 0.81 MEN1 (0.44) PTGS2KMT2AHSP90AA1MAPTLMNA
SCHEMBL592300 0.78 PTGS2 (0.65) PTGS2KMT2APDE4BFGFR1FGFR2
SCHEMBL17517796 0.77 HPGD (0.40) PTGS2KMT2AMAPTLMNAHTT
SCHEMBL15714789 0.77 MAPK1 (0.41) PTGS2KMT2AHSP90AA1MAPTLMNA
SCHEMBL10089222 0.76 PTGS2 (0.47) PTGS2KMT2AHSP90AA1HSP90AB1PDE4B
SCHEMBL10736364 0.75 PTGS2 (0.69) PTGS2KMT2APDE4BMAPTLMNA
SCHEMBL17432754 0.73 ME2 (0.45) FGFR1FGFR2FGFR4FGFR3MAPT

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-20200208007-A1 STIMULI-RESPONSIVE COLOR-CHANGING FUNCTIONAL COATING, PREPARATION METHOD AND APPLICATION THEREOF UNIVERSITY OF AKRON 2020-07-02 US disclosed