SCHEMBL8424481

SCHEMBL8424481

CCCCOc1nc(-c2ccc(F)cc2)cc(-c2ccccc2S(N)(=O)=O)c1OC(=O)C(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
SGK1 O00141 1/20 0.38
ALOX5AP P20292 5/20 0.37
FEN1 P39748 5/20 0.37
CA9 Q16790 1/20 0.37
SQOR Q9Y6N5 2/20 0.36
F10 P00742 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
PRSS1 P07477 1/20 0.34
PLA2G2A P14555 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL8423386 0.92 PTGS1 (0.39) PTGS1PTGS2SGK1ALOX5APFEN1
SCHEMBL8424482 0.87 PTGS2 (0.47) PTGS1PTGS2CA9MEN1KMT2A
SCHEMBL8423053 0.81 PTGS1 (0.42) PTGS1PTGS2SGK1ALOX5APFEN1
SCHEMBL8421107 0.81 PTGS2 (0.47) PTGS1PTGS2SGK1ALOX5APFEN1
SCHEMBL8423389 0.79 PTGS2 (0.46) PTGS1PTGS2CA9MEN1KMT2A
SCHEMBL8423196 0.78 SGK1 (0.42) PTGS1PTGS2SGK1ALOX5APFEN1
SCHEMBL8423260 0.78 SGK1 (0.42) PTGS1PTGS2SGK1ALOX5APFEN1
SCHEMBL8419905 0.73 PTGS2 (0.40) PTGS1PTGS2SGK1ALOX5APFEN1
SCHEMBL8776868 0.72 PTGS2 (0.57) PTGS1PTGS2CA9MEN1KMT2A
SCHEMBL8421300 0.71 PTGS2 (0.39) PTGS1PTGS2SGK1F10PRSS1

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-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed