SCHEMBL6862460

SCHEMBL6862460

COCOC(=O)Cc1ccccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.46
RXRB P28702 6/20 0.46
RXRG P48443 6/20 0.46
ERAP1 Q9NZ08 3/20 0.41
ERAP2 Q6P179 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
MRGPRX4 Q96LA9 3/20 0.39
NR4A2 P43354 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
RAD52 P43351 1/20 0.38

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
SCHEMBL1138812 0.94 TRPV1 (0.40) RXRARXRBRXRGERAP1ERAP2
SCHEMBL6861324 0.90 RXRA (0.50) RXRARXRBRXRGERAP1ERAP2
SCHEMBL6864186 0.89 RXRA (0.48) RXRARXRBRXRGERAP1ERAP2
SCHEMBL1140185 0.89 RXRA (0.51) RXRARXRBRXRGERAP1ERAP2
SCHEMBL6861346 0.88 RXRA (0.52) RXRARXRBRXRGERAP1ERAP2
SCHEMBL6864123 0.88 RXRA (0.48) RXRARXRBRXRGERAP1ERAP2
SCHEMBL6855975 0.87 RXRA (0.47) RXRARXRBRXRGERAP1ERAP2
SCHEMBL1138906 0.87 TRPV1 (0.38) RXRARXRBRXRGERAP1ERAP2
SCHEMBL6861611 0.87 RXRA (0.50) RXRARXRBRXRGERAP1ERAP2
SCHEMBL1139197 0.86 RXRA (0.49) RXRARXRBRXRGERAP1ERAP2

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