SCHEMBL8589864

SCHEMBL8589864

CC(=O)N(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)C1CCc2c(OCC(=O)O)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.45
RXRA P19793 11/20 0.43
NR4A2 P43354 11/20 0.43
RXRB P28702 10/20 0.43
RXRG P48443 6/20 0.43
NR4A1 P22736 3/20 0.43
NR4A3 Q92570 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCC4 O15439 1/20 0.43
C5 P01031 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL7495137 0.92 PTGIR (0.46) PTGIRRXRANR4A2RXRBRXRG
SCHEMBL8591135 0.91 PTGIR (0.42) PTGIRRXRANR4A2RXRBRXRG
SCHEMBL7496987 0.85 NR4A2 (0.49) PTGIRRXRANR4A2RXRBRXRG
SCHEMBL7497865 0.83 PTGIR (0.46) PTGIRRXRANR4A2RXRBRXRG
SCHEMBL7486860 0.83 PTGIR (0.43) PTGIRRXRANR4A2RXRBRXRG
SCHEMBL7498928 0.83 PTGIR (0.45) PTGIRRXRANR4A2RXRBRXRG
SCHEMBL7493526 0.82 NR4A2 (0.45) PTGIRRXRANR4A2RXRBRXRG
SCHEMBL7488291 0.82 PTGIR (0.46) PTGIRRXRANR4A2RXRBRXRG
SCHEMBL7485192 0.81 PTGIR (0.48) PTGIRNR4A2KDM4ECYP3A4HPGD
SCHEMBL7489527 0.80 PTGIR (0.51) PTGIRNR4A2NR4A1NR4A3PPARD

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