SCHEMBL6862463

SCHEMBL6862463

COCOC(=O)CN(c1ccc(C(F)(F)F)cc1OCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 15/20 0.56
NFE2L2 Q16236 15/20 0.56
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
TRPM8 Q7Z2W7 3/20 0.45

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
SCHEMBL1138814 0.95 KEAP1 (0.56) KEAP1NFE2L2
SCHEMBL1139961 0.90 KEAP1 (0.51) KEAP1NFE2L2
SCHEMBL6861327 0.88 KEAP1 (0.56) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL1140188 0.88 KEAP1 (0.71) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL1138908 0.87 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL6864191 0.87 KEAP1 (0.54) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6864126 0.87 KEAP1 (0.59) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6855976 0.87 KEAP1 (0.59) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6861350 0.86 KEAP1 (0.58) KEAP1NFE2L2RXRARXRBRXRG
SCHEMBL6855155 0.85 KEAP1 (0.56) KEAP1NFE2L2RXRARXRBRXRG

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-6790866-B2 SUCH AS 4-(2-PHENYLSULFONYLAMINO-5-CHLOROBENZOYLAMINO)BENZOIC ACID FOR USE AS PROSTAGLANDIN E2 ANTAGONIST OR AGONIST; FOR INHIBITION OF UTERINE CONTRACTION, ANALGESICS, ANTIDIARRHEALS, SLEEP INDUCERS, AND/OR FOR INCREASE OF VESICAL CAPACITY ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 US disclosed