SCHEMBL6130870

SCHEMBL6130870

CCCC(F)OC(=O)NCc1cccc(C(CP(=O)(OCC)C(N)C(C)C)C(=O)OC)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ KCNB1 Q14721 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.30
▸ LMNA P02545 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
SCHEMBL2940083 0.96 KCNB1 (0.33) ALDH1A1PPARGPPARAKCNA5KCNH2
SCHEMBL2353039 0.85 GLS (0.36) ALDH1A1MEN1KMT2A
SCHEMBL2936801 0.85 S1PR1 (0.35) KCNA5KCNH2KCNB1
SCHEMBL2939235 0.81 PRTN3 (0.46) ALDH1A1LMNA
SCHEMBL2350401 0.81 GLS (0.37) MEN1KMT2A
SCHEMBL6130843 0.78 S1PR1 (0.37) TLR7LMNA
SCHEMBL2940407 0.75 PPARG (0.35) PPARGPPARA
SCHEMBL2933823 0.74 PRTN3 (0.44) PPARG
SCHEMBL2355879 0.71 PRTN3 (0.47) MEN1KMT2APPARG
SCHEMBL2354971 0.69 GLS (0.39) MEN1KMT2A

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-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 — — EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 — — WO disclosed
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