SCHEMBL6089768

SCHEMBL6089768

Cc1cccc(COc2cccc(OCc3ccc4ccccc4c3)c2)c1OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
PTPN7 P35236 1/20 0.48
FFAR1 O14842 3/20 0.47
PPARD Q03181 2/20 0.45
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
PPARA Q07869 1/20 0.45
MAOB P27338 1/20 0.44
PLA2G4B P0C869 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL6088820 0.87 FFAR1 (0.55) MRGPRX4PTGDR2FFAR1PPARDPTGER1
SCHEMBL6092051 0.86 FFAR1 (0.51) MRGPRX4PTGDR2FFAR1MAOB
SCHEMBL6090373 0.85 MRGPRX4 (0.59) MRGPRX4PTGDR2FFAR1PPARDPPARA
SCHEMBL6092205 0.85 PTGDR2 (0.53) PTGDR2FFAR1PPARDPTGER1PTGER4
SCHEMBL6087927 0.84 MRGPRX4 (0.53) MRGPRX4PTGER3MAOB
SCHEMBL6090698 0.83 NR4A2 (0.61) MRGPRX4PTGDR2FFAR1PPARDPTGER1
SCHEMBL6091148 0.83 PTGDR2 (0.47) MRGPRX4PTGDR2FFAR1PPARDPTGER1
SCHEMBL6089372 0.83 CYSLTR1 (0.62)
SCHEMBL6090183 0.82 PTGER1 (0.50) PTGDR2FFAR1PPARDPTGER1PTGER4
SCHEMBL6088282 0.82 ALOX5 (0.42) MRGPRX4

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
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed