SCHEMBL7528135

SCHEMBL7528135

CC(C)(c1ccc(OCC(=O)O)cc1)C(Cc1cccc(Oc2ccccc2)c1)OC(Cc1cccc(Oc2ccccc2)c1)C(C)(C)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.56
SMN1; SMN2 Q16637 2/20 0.47
FFAR4 Q5NUL3 1/20 0.46
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGES O14684 1/20 0.42

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
SCHEMBL7528693 0.95 FFAR1 (0.50) FFAR1SMN1; SMN2FFAR4PPARGPPARA
SCHEMBL9029858 0.86 LTA4H (0.50) FFAR1SMN1; SMN2FFAR4PPARGPPARA
SCHEMBL9326504 0.84 PTGES (0.42) FFAR1PPARGPPARAPTGES
SCHEMBL7521762 0.80 FFAR1 (0.58) FFAR1SMN1; SMN2FFAR4PPARGPPARA
SCHEMBL11236263 0.77 MMP13 (0.46) FFAR1SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL27822189 0.77 NPC1 (0.51) FFAR1SMN1; SMN2PPARGPPARALMNA
SCHEMBL7528130 0.76 FFAR1 (0.56) FFAR1SMN1; SMN2FFAR4PPARGPPARA
SCHEMBL1745006 0.76 FFAR1 (0.73) FFAR1FFAR4PPARGALOX15
SCHEMBL7520243 0.75 FFAR1 (0.52) FFAR1SMN1; SMN2FFAR4PPARGPPARA
SCHEMBL3633492 0.75 CETP (0.51) FFAR1FFAR4PPARGPPARA

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
EP-0645628-B1 Immunological detection method of pyrethroid compound, haptenic compound, intermediate for the haptenic compound, immunogen and antibody MITSUI CHEMICALS INC (JP) 2002-03-06 EP claimed