SCHEMBL7964642

SCHEMBL7964642

COCCOCOc1cc(CC(=O)O)c(F)c(F)c1OCOCCOC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
RARG P13631 10/20 0.36
RARA P10276 2/20 0.34
RARB P10826 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IKBKB O14920 2/20 0.34
CTNNB1 P35222 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SELP P16109 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
SCHEMBL8747650 0.82 F2 (0.39) F2ELANERARGRARARARB
SCHEMBL7965975 0.79 RARG (0.34) F2ELANERARGRARARARB
SCHEMBL7964173 0.77 RARA (0.38) F2ELANERARGRARARARB
SCHEMBL7964175 0.77 RARA (0.38) F2ELANERARGRARARARB
SCHEMBL7962571 0.76 FABP4 (0.50) F2ELANEIKBKB
SCHEMBL7951445 0.75 THRB (0.43) F2ELANERARGGAA
SCHEMBL7961925 0.75 ALDH1A1 (0.33) F2ELANERARGRARAIKBKB
SCHEMBL8118651 0.74 STING1 (0.44) F2ELANERARGRARARARB
SCHEMBL7959705 0.74 F2 (0.41) F2ELANERARGRARARARB
SCHEMBL7963326 0.73 RARG (0.41) F2ELANERARGIKBKBCTNNB1

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-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed