SCHEMBL6161983

SCHEMBL6161983

CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.32
P2RX3 P56373 1/20 0.31
THRB P10828 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL6161001 0.91 ENPP2 (0.35) ENPP2P2RX3
SCHEMBL6161887 0.87 KDM4E (0.33) ENPP2
SCHEMBL6167205 0.87 ENPP2 (0.34) ENPP2P2RX3
SCHEMBL6965855 0.86 ENPP2 (0.33) ENPP2P2RX3
SCHEMBL6961504 0.85 ENPP2 (0.35) ENPP2P2RX3
SCHEMBL6160633 0.84 PPARG (0.33) ENPP2P2RX3
SCHEMBL6161870 0.84 PPARG (0.33) ENPP2P2RX3
SCHEMBL6159794 0.84 PPARG (0.33) ENPP2P2RX3
SCHEMBL597334 0.83 P2RX3 (0.33) ENPP2P2RX3
SCHEMBL5852655 0.83 P2RX3 (0.33) ENPP2P2RX3

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-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed