SCHEMBL8635525

SCHEMBL8635525

Cc1ccc(-c2cn(CCCO)nc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.43
FEN1 P39748 7/20 0.43
F10 P00742 11/20 0.42
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL8634424 0.88 ALOX5AP (0.45) ALOX5APFEN1F10F2PRSS1
SCHEMBL8632643 0.87 PTGS2 (0.53) ALOX5APFEN1F10PTGS2
SCHEMBL8628116 0.87 ALOX5AP (0.41) ALOX5APFEN1F10F2PRSS1
SCHEMBL8634888 0.86 F10 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL8629226 0.86 PTGS2 (0.49) ALOX5APFEN1F10F2PRSS1
SCHEMBL7779599 0.86 PTGS2 (0.48) PTGS2
SCHEMBL8631512 0.85 LMNA (0.46) ALOX5APFEN1F10F2PRSS1
SCHEMBL8634904 0.84 ALOX5AP (0.47) ALOX5APFEN1F10F2PRSS1
SCHEMBL8635023 0.84 FEN1 (0.44) ALOX5APFEN1F10F2PRSS1
SCHEMBL8635543 0.84 PTGIR (0.51) F10F2PRSS1PRSS2PRSS3

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed