SCHEMBL6507864

SCHEMBL6507864

COc1ccc(CC(OC(C)C)C(=O)O)cc1COCc1ccc(Cl)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.45
PPARA Q07869 12/20 0.42
PPARG P37231 9/20 0.42
ADRB2 P07550 1/20 0.41
PPARD Q03181 3/20 0.41
LDHA P00338 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.39
HTR2A P28223 1/20 0.37

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
SCHEMBL6496306 0.93 ADRB2 (0.45) MMP1PPARAPPARGADRB2PPARD
SCHEMBL6497041 0.91 PPARA (0.50) MMP1PPARAPPARGADRB2PPARD
SCHEMBL6505581 0.86 LDHA (0.45) MMP1PPARAPPARGPPARDLDHA
SCHEMBL6504364 0.86 PPARG (0.40) MMP1PPARAPPARGPPARDLDHA
SCHEMBL6494660 0.85 LDHA (0.41) MMP1PPARAPPARGADRB2PPARD
SCHEMBL7686808 0.85 PPARA (0.44) MMP1PPARAPPARGPPARDLDHA
SCHEMBL6497495 0.82 PPARA (0.42) MMP1PPARAPPARGPPARDLDHA
SCHEMBL6497980 0.80 PPARA (0.54) MMP1PPARAPPARGPPARD
SCHEMBL6505336 0.80 PPARA (0.53) MMP1PPARAPPARGPPARD
SCHEMBL13819358 0.80 HDAC8 (0.54) MMP1PPARAPPARGADRB2PPARD

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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed