SCHEMBL16638256

SCHEMBL16638256

CCCCNC(=O)NCCOCCOCC

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.57
ACHE P22303 7/20 0.48
TSHR P16473 1/20 0.47
EPHX2 P34913 3/20 0.47

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
SCHEMBL30099796 0.94 EPHX1 (0.63) EPHX1ACHEEPHX2
SCHEMBL26669250 0.91 EPHX1 (0.59) EPHX1ACHEEPHX2
SCHEMBL24438211 0.91 EPHX1 (0.67) EPHX1TSHREPHX2
SCHEMBL6287134 0.87 EPHX1 (0.55) EPHX1ACHEEPHX2
SCHEMBL18235597 0.87 ACHE (0.56) EPHX1ACHETSHREPHX2
SCHEMBL6289672 0.87 ACHE (0.56) EPHX1ACHETSHREPHX2
SCHEMBL6289675 0.87 EPHX1 (0.55) EPHX1ACHETSHREPHX2
SCHEMBL14984055 0.87 EPHX1 (0.73) EPHX1EPHX2
SCHEMBL11230123 0.86 EPHX2 (0.56) EPHX1TSHREPHX2
SCHEMBL6284981 0.86 EPHX1 (0.53) EPHX1ACHETSHREPHX2

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
US-9006281-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2015-04-14 US disclosed
US-9006281-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2015-04-14 US disclosed