SCHEMBL6987737

SCHEMBL6987737

NS(=O)(=O)c1ccc(F)c(C2CCC(c3ccc(O)cc3O)CC2)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.38
WDR5 P61964 2/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 3/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA12 O43570 2/20 0.32
EPAS1 Q99814 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP19A1 P11511 1/20 0.32
PDK2 Q15119 1/20 0.32
ACLY P53396 1/20 0.31

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
SCHEMBL6598741 0.75 TYR (0.40) TYRCA1CA2CA9CA7
SCHEMBL6598743 0.75 TYR (0.40) TYRCA1CA2CA9CA7
SCHEMBL6597960 0.73 TYR (0.43) TYRCA1CA2CA9CA7
SCHEMBL19249421 0.72 TYR (0.48) TYRPTGS1PTGS2CYP19A1
SCHEMBL5366944 0.70 DPP4 (0.49) TDP1ACLY
SCHEMBL5366940 0.70 DPP4 (0.49) TDP1ACLY
SCHEMBL6598747 0.70 HTR1A (0.44) TDP1ACLY
SCHEMBL6436708 0.69 TYR (0.45) TYRCA1CA2CA9CA7
SCHEMBL28140278 0.69 PTGES2 (0.40) CA1CA2CA9CA7CA14
SCHEMBL5359472 0.68 KMT2A (0.40) TYRWDR5CA1CA2CA9

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
EP-1317425-A2 RESORCINOL DERIVATIVES Pfizer Products Inc. (US) 2003-06-11 EP disclosed
WO-2002020474-A2 RESORCINOL DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-03-14 WO disclosed