SCHEMBL1997780

SCHEMBL1997780

Cc1cccc(C)c1C(CCNC1=C(c2ccccc2)S(O)(O)N(C(C)(C)C)C1=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL1997784 0.90 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL3504273 0.75 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL5308618 0.72 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL2000480 0.71 TSHR (0.45)
SCHEMBL2000298 0.70 KMT2A (0.43)
SCHEMBL2003034 0.70 MEN1 (0.41)
SCHEMBL2001082 0.69 ESR1 (0.40) NR1H2
SCHEMBL1999834 0.68 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL2006277 0.67 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL1997782 0.64 NR1H2 (0.45) NR1H2NR1H3

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-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed