SCHEMBL14595449

SCHEMBL14595449

Cc1cc(-c2ccc3c(c2)c2c(n3C)CCCC2)cc(-c2ccc3c(c2)c2c(n3C)CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIRT2 Q8IXJ6 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SCARB1 Q8WTV0 7/20 0.37
SIRT1 Q96EB6 2/20 0.37
ALOX15 P16050 1/20 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
SCHEMBL15101429 0.83 ALOX5 (0.67) ALOX5PTGS1PTGS2KDM4EHSD17B10
SCHEMBL3857095 0.82 ALOX5 (0.76) ALOX5PTGS1PTGS2KDM4EHSD17B10
SCHEMBL14595451 0.82 SIRT2 (0.47) ALOX5PTGS1PTGS2SIRT2HTR2A
SCHEMBL3857090 0.80 PTGS1 (0.56) ALOX5PTGS1PTGS2
SCHEMBL20370864 0.80 KDM4E (0.63) ALOX5PTGS1PTGS2KDM4EHSD17B10
SCHEMBL13877233 0.75 ALOX5 (0.65) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL3861613 0.75 ALOX5 (0.65) ALOX5PTGS1PTGS2KDM4EHSD17B10
SCHEMBL1873708 0.75 PTGS1 (0.65) ALOX5PTGS1PTGS2KDM4EHSD17B10
SCHEMBL17895753 0.74 ALOX5 (0.68) ALOX5PTGS1PTGS2KDM4EHSD17B10
SCHEMBL3853703 0.73 ALOX5 (0.48) ALOX5PTGS1PTGS2SCARB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070009760-A1 Coordination metal compound, material for organic electroluminescence device, material for luminescent coating formation and organic electroluminescence device INOUE TETSUYA 2007-01-11 US disclosed
US-20070009760-A1 Coordination metal compound, material for organic electroluminescence device, material for luminescent coating formation and organic electroluminescence device INOUE TETSUYA 2007-01-11 US disclosed