SCHEMBL7255688

SCHEMBL7255688

CC1(C)C(=O)C(c2ccccc2)=C(c2ccccc2)C1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.48
PTGS1 P23219 3/20 0.48
PDE4B Q07343 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
P2RX7 Q99572 1/20 0.33
GSK3B P49841 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33

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
SCHEMBL7259290 0.68 PTGS2 (0.53) PTGS2PTGS1PDE4BLMNAHSP90AA1
SCHEMBL21865716 0.67 PTGS2 (0.36) PTGS2PTGS1PDE4B
SCHEMBL22013803 0.67 PTGS2 (0.36) PTGS2PTGS1PDE4B
SCHEMBL7256745 0.66 PTGS2 (0.41) PTGS2PTGS1PDE4BLMNAHSP90AA1
SCHEMBL1089399 0.65 LMNA (0.43) PTGS2PTGS1PDE4BLMNAP2RX7
SCHEMBL6348979 0.64 PTGS2 (0.71) PTGS2PTGS1PDE4BLMNAHSP90AA1
SCHEMBL22666802 0.63 PTGS2 (0.45) PTGS2PTGS1PDE4BLMNAHSP90AA1
SCHEMBL23666900 0.61 PTGS2 (0.37) PTGS2PDE4BLMNAHSP90AA1HSP90AB1
SCHEMBL6569636 0.61 ALDH1A1 (0.40) PTGS2PDE4BLMNAHSP90AA1HSP90AB1
SCHEMBL7256570 0.59 PDE4B (0.46) PTGS2PDE4BLMNAHSP90AA1HSP90AB1

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
WO-2003080553-A1 CYCLOPENTENE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-10-02 WO disclosed