SCHEMBL16049797

SCHEMBL16049797

CC(C)C1(O)CCN(C(=O)c2ccc(-c3ccc4cccc(S(N)(=O)=O)c4n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 19/20 0.57
▸ FASN P49327 1/20 0.46

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
SCHEMBL16049747 0.88 PKLR (0.55) PKLR
SCHEMBL16049777 0.88 PKLR (0.57) PKLRFASN
SCHEMBL16050149 0.85 PKLR (0.59) PKLRFASN
SCHEMBL16049593 0.85 PKLR (0.52) PKLR
SCHEMBL16049678 0.84 PKLR (0.53) PKLRFASN
SCHEMBL30517909 0.77 PKLR (0.57) PKLRFASN
SCHEMBL28023821 0.77 PKLR (0.59) PKLR
SCHEMBL30497037 0.75 CA12 (0.56) —
SCHEMBL31726892 0.73 PKLR (0.55) PKLR
SCHEMBL16083859 0.73 PKLR (1.00) PKLR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
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