SCHEMBL7256745

SCHEMBL7256745

CC1C(=O)C(c2ccccc2)=C(c2ccccc2)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
PDE4B Q07343 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
P2RX7 Q99572 1/20 0.34
FGFR1 P11362 4/20 0.33
FGFR2 P21802 4/20 0.33
FGFR4 P22455 4/20 0.33
FGFR3 P22607 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SRC P12931 2/20 0.33
PTGS1 P23219 1/20 0.33
CYP3A4 P08684 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
SCHEMBL7256570 0.69 PDE4B (0.46) PTGS2PDE4BLMNAHSP90AA1HSP90AB1
SCHEMBL5032009 0.67 CRHBP (0.41) PTGS2PDE4BLMNACRHBPCRHR2
SCHEMBL6569636 0.66 ALDH1A1 (0.40) PTGS2PDE4BLMNAHSP90AA1HSP90AB1
SCHEMBL1089399 0.66 LMNA (0.43) PTGS2PDE4BLMNACRHBPCRHR2
SCHEMBL7255688 0.66 PTGS2 (0.48) PTGS2PDE4BLMNAHSP90AA1HSP90AB1
SCHEMBL4942933 0.65 SMN1; SMN2 (0.38) PTGS2PDE4BLMNAP2RX7ALDH1A1
SCHEMBL22012817 0.65 SMN1; SMN2 (0.38) PTGS2PDE4BLMNAP2RX7ALDH1A1
SCHEMBL6348979 0.65 PTGS2 (0.71) PTGS2PDE4BLMNAHSP90AA1HSP90AB1
SCHEMBL22666802 0.64 PTGS2 (0.45) PTGS2PDE4BLMNAHSP90AA1HSP90AB1
SCHEMBL11089344 0.63 NR3C1 (0.42) PTGS2PDE4BLMNANPSR1MITF

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