SCHEMBL22170333

SCHEMBL22170333

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
PTGES O14684 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
FGFR3 P22607 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.31
SRC P12931 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
MAPT P10636 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
SCHEMBL22170331 0.82 PTGS2 (0.46) PTGS2HSP90AA1HSP90AB1KDM4EFGFR1
SCHEMBL15714991 0.75 PTGS2 (0.43) PTGS2HSP90AA1HSP90AB1KDM4EFGFR1
SCHEMBL6348979 0.73 PTGS2 (0.71) PTGS2PTGESHSP90AA1HSP90AB1KDM4E
SCHEMBL29544302 0.72 PTGS2 (0.46) PTGS2HSP90AA1HSP90AB1KDM4ELMNA
SCHEMBL571569 0.66 MEN1 (0.44) PTGS2HSP90AA1KDM4ELMNAKMT2A
SCHEMBL592300 0.63 PTGS2 (0.65) PTGS2KDM4EFGFR1FGFR2FGFR4
SCHEMBL22158010 0.63 PTGS2 (0.64) PTGS2PTGESKDM4ELMNAKMT2A
SCHEMBL17517796 0.62 HPGD (0.40) PTGS2KDM4ELMNAKMT2AMAPT
SCHEMBL15714789 0.62 MAPK1 (0.41) PTGS2HSP90AA1KDM4ELMNAKMT2A
SCHEMBL10089222 0.62 PTGS2 (0.47) PTGS2HSP90AA1HSP90AB1KDM4ELMNA

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