SCHEMBL5229710

SCHEMBL5229710

O=C(O)CN(C(=O)CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 14/20 1.00
NR1H2 P55055 5/20 0.52
NR1H3 Q13133 5/20 0.52
RORC P51449 1/20 0.52

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
SCHEMBL2942439 0.83 MLYCD (1.00) MLYCDNR1H2NR1H3
SCHEMBL5231602 0.80 MLYCD (0.69) MLYCDRORC
SCHEMBL24279551 0.79 MLYCD (0.65) MLYCD
SCHEMBL10681264 0.75 MLYCD (0.60) MLYCD
SCHEMBL5231374 0.74 MLYCD (1.00) MLYCDNR1H3RORC
SCHEMBL2080809 0.72 MLYCD (0.69) MLYCDNR1H2NR1H3
SCHEMBL24279554 0.72 MLYCD (0.56) MLYCD
SCHEMBL6493549 0.71 MLYCD (0.63) MLYCDNR1H2NR1H3
SCHEMBL14732184 0.69 RORC (0.77) NR1H2NR1H3RORC
SCHEMBL6496268 0.69 NR1H2 (0.63) MLYCDNR1H2NR1H3RORC

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-1353662-B1 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-04-18 EP claimed