SCHEMBL6090698

SCHEMBL6090698

Cc1cccc(COc2cccc(OCc3ccc(C(C)(C)C)cc3)c2)c1OCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.61
NR4A1 P22736 1/20 0.61
NR4A3 Q92570 1/20 0.61
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
MAOB P27338 2/20 0.44
FFAR1 O14842 2/20 0.44
PPARG P37231 1/20 0.44
PTGER2 P43116 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 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
SCHEMBL6091148 0.84 PTGDR2 (0.47) NR4A2PPARDPPARAPTGDR2FFAR1
SCHEMBL6091321 0.84 NR4A2 (0.66) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL6089768 0.83 MRGPRX4 (0.49) PPARDPPARAPTGDR2MAOBFFAR1
SCHEMBL6092051 0.83 FFAR1 (0.51) NR4A2RXRARXRBPTGDR2MAOB
SCHEMBL6090373 0.82 MRGPRX4 (0.59) SMN1; SMN2PPARDPPARAPTGDR2MAOB
SCHEMBL6092205 0.82 PTGDR2 (0.53) NR4A2PPARDPPARAPTGDR2MAOB
SCHEMBL6088820 0.81 FFAR1 (0.55) NR4A2PPARDPTGDR2FFAR1PTGER2
SCHEMBL6087649 0.81 NR4A2 (0.53) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL6088578 0.80 NR4A2 (0.57) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL6088801 0.80 GPR132 (0.51) PPARDPPARAPPARG

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