SCHEMBL13569434

SCHEMBL13569434

C=CC(=O)OC(COC(=O)C(=C)C)COc1ccc2c(c1)CCc1cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
AOC3 Q16853 1/20 0.31
MCHR1 Q99705 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
AR P10275 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
SCHEMBL13569435 0.88 MCHR1 (0.34) MCHR1
SCHEMBL13569423 0.86 SMN1; SMN2 (0.34)
SCHEMBL13569437 0.86 PDK2 (0.30) CA1CA2
SCHEMBL13569436 0.85 HPGD (0.31)
SCHEMBL13569404 0.85 AR (0.34) MAOBCA1CA2AR
SCHEMBL6014306 0.83 MAOB (0.39) MAOBAR
SCHEMBL6014302 0.83 MAOB (0.39) MAOBAR
SCHEMBL13569438 0.82 ESR1 (0.32) AR
SCHEMBL13569406 0.81 MAPT (0.35) AR
SCHEMBL13569433 0.81 KDM4E (0.32)

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-7629094-B2 Electrophotographic photoreceptor, and image forming method, image forming apparatus and process cartridge therefor using the electrophotographic photoreceptor RICOH COMPANY, LTD. (JP) 2009-12-08 US disclosed