SCHEMBL1699655

SCHEMBL1699655

CCCCOC(C(=O)O)c1c(C)cc2c(Cl)cc(F)cc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.31
AKR1B1 P15121 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL1699516 0.84 PSIP1 (0.30)
SCHEMBL10272115 0.80
SCHEMBL1699447 0.78
SCHEMBL1699656 0.77 PTGDR2 (0.34) PTGDR2
SCHEMBL15093250 0.77 CXCR2 (0.36)
SCHEMBL15093539 0.76 KDM4E (0.33) PTGDR2PTGESALOX5PPARG
SCHEMBL15093536 0.74 PSIP1 (0.32)
SCHEMBL15093733 0.71 CXCR2 (0.32)
SCHEMBL1699760 0.71 PTGDR2 (0.35) PTGDR2PPARGPPARA
SCHEMBL15099727 0.70

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-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed