SCHEMBL8559917

SCHEMBL8559917

CS(=O)(=O)c1ccc(-c2cc(CCC(C(=O)O)c3ncco3)ccc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
TGFBR1 P36897 1/20 0.39
PTGS2 P35354 4/20 0.38
GABRA2 P47869 1/20 0.36
RORC P51449 2/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL8558001 0.91 CTSA (0.41) CTSAPTGS2GABRA2
SCHEMBL5732775 0.82 PTGS2 (0.42) CTSAPTGDR2PTGS2
SCHEMBL8559048 0.81 PTGS2 (0.43) CTSAPTGDR2PTGS2
SCHEMBL5732590 0.76 PTGS2 (0.44) CTSAPTGDR2PTGS2
SCHEMBL5733045 0.73 DRD1 (0.40) CTSAPTGS2
SCHEMBL6002182 0.72 PTGS2 (0.41) CTSAPTGS2
SCHEMBL6002011 0.70 PTGS2 (0.40) CTSAPTGS2
SCHEMBL5732778 0.70 LNPEP (0.37)
SCHEMBL5732159 0.68 PTGS2 (0.46) CTSAPTGS2
SCHEMBL8146329 0.68 CTSK (0.47) CTSATGFBR1PTGS2

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