SCHEMBL8974223

SCHEMBL8974223

CS(=O)(=O)c1ccc(C2=CC(CO)C=C2c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PTGS2 P35354 7/20 0.37
PTGS1 P23219 4/20 0.36
PPARD Q03181 2/20 0.36
MAP4K4 O95819 2/20 0.36
PIK3CA P42336 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KIF11 P52732 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL8974076 0.89 POLB (0.38) POLBSLC22A12PTGS2PPARDMAP4K4
SCHEMBL8974776 0.89 PPARD (0.36) POLBSLC22A12PTGS2PPARDMAP4K4
SCHEMBL8974190 0.88 KIF11 (0.40) POLBPTGS2PTGS1PPARDMAP4K4
SCHEMBL8974563 0.86 PTGS2 (0.37) PTGS2PTGS1KCNH2PI4KB
SCHEMBL8974150 0.85 ALOX5AP (0.40) POLBSLC22A12PTGS2MAP4K4PIK3CA
SCHEMBL8974593 0.84 KIF11 (0.38) POLBSLC22A12PTGS2MAP4K4PIK3CA
SCHEMBL8974707 0.83 PPARD (0.38) POLBSLC22A12PTGS2PTGS1PPARD
SCHEMBL8974522 0.82 PTGS2 (0.52) PTGS2PTGS1PTGDR2KIF11
SCHEMBL8974809 0.81 PTGS2 (0.40) POLBSLC22A12PTGS2PTGS1PPARD
SCHEMBL8974636 0.81 PTGS2 (0.42) PTGS2PTGS1PTGDR2LOXL2

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
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed