SCHEMBL5533757

SCHEMBL5533757

O=C(O)CCCCCCCCCCCCn1ccnn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.51
PTGS1 P23219 4/20 0.43
PTGS2 P35354 4/20 0.43
PTGIR P43119 4/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
FOLH1 Q04609 1/20 0.40
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5536313 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA
SCHEMBL5538144 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA
SCHEMBL5531435 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA
SCHEMBL5538968 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA
SCHEMBL5535357 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA
SCHEMBL5535802 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA
SCHEMBL5534333 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA
SCHEMBL5541468 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA
SCHEMBL5533488 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA
SCHEMBL5538057 1.00 TBXAS1 (0.51) TBXAS1PTGS1PTGS2PTGIRLMNA

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-20070044831-A1 Electrolyte composition and dye-sensitized solar cell NATIONAL UNIVERSITY CORPORATION KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2007-03-01 US disclosed