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SCHEMBL5161668

SCHEMBL5161668

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1.CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 4/20 0.52
▸ TRPM8 Q7Z2W7 12/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TAS2R14 Q9NYV8 2/20 0.42

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
SCHEMBL3558815 0.86 TRPM8 (0.56) PTGER1TRPM8
SCHEMBL3551118 0.85 TAS2R14 (0.51) PTGER1MEN1KMT2ATAS2R14
SCHEMBL3554881 0.83 TRPM8 (0.55) PTGER1TRPM8
SCHEMBL3554109 0.82 ALOX5 (0.50) PTGER1MEN1KMT2ATAS2R14
SCHEMBL3561812 0.82 ALOX5 (0.44) MEN1KMT2A
SCHEMBL3554237 0.80 TAS2R14 (0.57) PTGER1TAS2R14
SCHEMBL3563898 0.77 ALOX5 (0.53) PTGER1TRPM8
SCHEMBL3557111 0.76 ALOX5 (0.53) KMT2ATAS2R14
SCHEMBL3554627 0.76 ALOX5 (0.57) TRPM8MEN1KMT2ATAS2R14
SCHEMBL3561817 0.76 ALDH1A1 (0.46) PTGER1MEN1KMT2ATAS2R14

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
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 — — EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 — — WO disclosed