SCHEMBL16638559

SCHEMBL16638559

CCC(C)(C)CC(C)(P)CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL805136 0.78 TSHR (0.35) TSHRTDP1
SCHEMBL1274068 0.75
SCHEMBL10794688 0.75 TSHR (0.46) TSHRTDP1
Hydrochloric Acid SCHEMBL22401684 0.72
SCHEMBL599877 0.69 TSHR (0.50) TSHRTDP1
SCHEMBL16812837 0.69 TSHR (0.33) TSHRTDP1
SCHEMBL12179759 0.67
SCHEMBL18697049 0.67 TSHR (0.38) TSHRTDP1
SCHEMBL13458323 0.67 TSHR (0.38) TSHRTDP1
SCHEMBL17793493 0.67 TSHR (0.32) TSHRTDP1

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
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