SCHEMBL1011187

SCHEMBL1011187

COC(=O)Cc1cccc(Oc2ccc(C(F)(F)F)cc2C(N)[C@H]2CCc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
GFRA2 O00451 1/20 0.37
GFRA3 O60609 1/20 0.37
MC4R P32245 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
FAAH O00519 1/20 0.37
SCN9A Q15858 6/20 0.36
CSNK1D P48730 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1944769 1.00 SMYD3 (0.40) SMYD3GFRA2GFRA3MC4RPOLB
SCHEMBL1943686 1.00 SMYD3 (0.40) SMYD3GFRA2GFRA3MC4RPOLB
SCHEMBL1009732 0.88 GFRA2 (0.39) GFRA2GFRA3POLBSLC7A5
SCHEMBL1942311 0.86 SMYD3 (0.40) SMYD3MC4RPOLBHTTFAAH
SCHEMBL3412161 0.84 PTGDR2 (0.47)
SCHEMBL150054 0.84 PTGDR2 (0.47)
SCHEMBL152080 0.84 PTGDR2 (0.47)
SCHEMBL1943691 0.80 KDM4E (0.43) POLBHTTSCN9AKCNQ3KCNQ2
SCHEMBL1943687 0.80 KDM4E (0.43) POLBHTTSCN9AKCNQ3KCNQ2
SCHEMBL1944772 0.80 KDM4E (0.43) POLBHTTSCN9AKCNQ3KCNQ2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed