SCHEMBL987174

SCHEMBL987174

CC(C)(C)OC(=O)COc1ccc(CN(CCO[Si](C)(C)C(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1-c1cccc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
CXCR3 P49682 2/20 0.35
PTGER1 P34995 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER2 P43116 3/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
RORC P51449 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
SCHEMBL12948710 0.88 KCNA5 (0.37) KCNA5PTGDR2CXCR3PTGER1KMT2A
SCHEMBL988942 0.85 PTGDR2 (0.42) KCNA5PTGDR2PTGER1ALDH1A1LMNA
SCHEMBL987918 0.81 PTGDR2 (0.50) KCNA5PTGDR2CXCR3PTGER1KMT2A
SCHEMBL1082349 0.81 MLNR (0.40) KCNA5PTGDR2CXCR3KMT2AALDH1A1
SCHEMBL988505 0.79 PTGDR2 (0.52) KCNA5PTGDR2CXCR3PTGER1KMT2A
SCHEMBL988484 0.78 PTGDR2 (0.43) PTGDR2PTGER1ALDH1A1LMNARORC
SCHEMBL987937 0.78 PTGDR2 (0.43) PTGDR2ALDH1A1LMNA
SCHEMBL14885448 0.78 PTGDR2 (0.42) PTGDR2PTGER1PTGER2ALDH1A1LMNA
SCHEMBL2772080 0.77 MAOA (0.35) PTGDR2PTGER1KMT2AALDH1A1LMNA
SCHEMBL987762 0.75 PTGDR2 (0.55) PTGDR2PTGER1PTGER2ALDH1A1LMNA

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
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed