SCHEMBL8555824

SCHEMBL8555824

CC(c1nc(-c2ccc(F)cc2)c(-c2ccccc2S(N)(=O)=O)o1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.45
PTGS1 P23219 9/20 0.45
USP1 O94782 1/20 0.37
USP19 O94966 1/20 0.37
UCHL3 P15374 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
F10 P00742 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PIK3CD O00329 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL7507710 0.84 PTGS2 (0.58) PTGS2PTGS1ALOX5
SCHEMBL8559304 0.81 PTGS2 (0.44) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8558824 0.79 PTGS2 (0.45) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL7499284 0.79 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL9025662 0.77 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8545808 0.77 USP1 (0.38) PTGS2PTGS1USP1USP19ALOX5AP
SCHEMBL8560331 0.77 PTGS2 (0.67) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL9026920 0.77 PTGS2 (0.41) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL8559927 0.75 PTGS2 (0.49) PTGS2PTGS1USP1USP19UCHL3
Methane SCHEMBL6309587 0.75 PTGS2 (0.39) PTGS2PTGS1USP1USP19UCHL3

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed