SCHEMBL8549455

SCHEMBL8549455

CC(=O)OOc1cccc(C(C)N2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.48
NR4A2 P43354 8/20 0.38
RXRA P19793 6/20 0.38
RXRB P28702 5/20 0.38
RXRG P48443 3/20 0.38
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP30 Q70CQ3 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FABP4 P15090 1/20 0.33
XIAP P98170 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
SCHEMBL8546654 1.00 PTGIR (0.48) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL7490338 0.81 PTGIR (0.72) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL7487193 0.81 PTGIR (0.72) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL8549446 0.79 PTGIR (0.64) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL8546649 0.79 PTGIR (0.64) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL8547355 0.77 NR4A2 (0.38) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL9006854 0.74 PTGIR (0.44) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL9006816 0.73 NR4A2 (0.45) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL9006891 0.73 NR4A2 (0.52) PTGIRNR4A2RXRARXRBRXRG
SCHEMBL7487199 0.72 PTGIR (0.75) PTGIRNR4A2RXRARXRBRXRG

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
EP-0842161-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-20 EP disclosed