SCHEMBL2004065

SCHEMBL2004065

CCOc1ncc(Cl)cc1-c1ccc([C@@H](C)N[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PTGS2 P35354 3/20 0.32
PTGER2 P43116 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CNR1 P21554 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL5231980 0.77 ADRB2 (0.41) ALDH1A1TSHRPTGS2FFAR4MEN1
SCHEMBL2006705 0.77 ADRB2 (0.41) ALDH1A1TSHRPTGS2FFAR4MEN1
SCHEMBL30239224 0.74 ACACB (0.45) ALDH1A1MEN1KMT2A
SCHEMBL4934500 0.74 ACACB (0.45) ALDH1A1MEN1KMT2A
SCHEMBL17061935 0.69 GRN (0.31)
SCHEMBL16770615 0.69 GRN (0.31)
SCHEMBL28336016 0.69 GRN (0.31)
SCHEMBL17061937 0.69 GRN (0.31)
SCHEMBL27413791 0.69 GRN (0.31)
SCHEMBL17601590 0.69 KMT2A (0.36) ALDH1A1TSHRMEN1KMT2A

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-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed