SCHEMBL2841702

SCHEMBL2841702

CC(=O)N(NCc1cccc(F)c1Cl)C(CCC(=O)NCC(C)(C)CO)COC(=O)Nc1cc2ccccc2cn1.CC(=O)N(NCc1cccc(F)c1Cl)[C@@H](CCC(=O)NCCCO)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.32
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL3952684 1.00 EPHX2 (0.32) EPHX2PPARGPPARA
SCHEMBL211367 0.96 ANO1 (0.32)
SCHEMBL210838 0.94 EPHX2 (0.33) EPHX2PPARGPPARA
SCHEMBL211927 0.91 P2RX4 (0.33) EPHX2
SCHEMBL210925 0.89 ANO1 (0.32) EPHX2
SCHEMBL210167 0.87 ANO1 (0.31)
SCHEMBL2837660 0.86 P2RX4 (0.33)
SCHEMBL211368 0.85 CTSK (0.32)
SCHEMBL211948 0.85 ABL1 (0.30)
SCHEMBL210728 0.85 CTSK (0.33) EPHX2

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-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed