SCHEMBL7997146

SCHEMBL7997146

Cc1ccc(Oc2ccc3c(c2)COB3)c(OCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.42
PPARD Q03181 9/20 0.39
PTGDR Q13258 1/20 0.38
FFAR1 O14842 5/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL14748446 0.84 PTGDR2 (0.45) PTGDR2PPARDFFAR1PPARA
SCHEMBL19622171 0.81 TSHR (0.54) PPARDKDM4EPPARGALOX15TSHR
SCHEMBL14748434 0.75 PDE4A (0.50)
SCHEMBL19622265 0.74 AR (0.36) PTGDR2PPARDFFAR1PPARA
SCHEMBL14748461 0.74 TBXA2R (0.36) PPARDPPARA
SCHEMBL320418 0.72 PTGDR2 (0.66) PTGDR2FFAR1KDM4ETSHR
SCHEMBL8006259 0.71 TTR (0.57) KDM4E
SCHEMBL14748412 0.70 PDE4B (0.41) KDM4E
SCHEMBL14748410 0.70 ALDH1A1 (0.54) TSHR
SCHEMBL24240486 0.69 CYP1A2 (0.32)

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
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 WO disclosed