SCHEMBL10558787

SCHEMBL10558787

COC(=O)C(C(=O)c1ccc(Cn2ccc3ccc(NC(=O)CC4CCCC4)cc32)c(OC)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.50
CYSLTR1 Q9Y271 13/20 0.50
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL9479001 0.86 CYSLTR1 (0.60) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8998153 0.84 EPHX2 (0.66) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL10368754 0.84 EPHX2 (0.65) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8998286 0.83 EPHX2 (0.56) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL10562486 0.82 CYSLTR1 (0.73) CYSLTR2CYSLTR1EPHX2
SCHEMBL10557006 0.81 EPHX2 (0.49) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL10367789 0.80 CYSLTR1 (0.67) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8998132 0.80 CYSLTR2 (0.52) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL10369577 0.79 CYSLTR2 (0.59) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8998285 0.79 EPHX2 (0.44) CYSLTR2CYSLTR1EPHX2NR1H4

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
US-4837235-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1989-06-06 US disclosed
EP-0227241-A2 Medicinal indole and indazole keto sulphone derivatives ZENECA INC. (US) 1987-07-01 EP disclosed