SCHEMBL6496306

SCHEMBL6496306

COc1ccc(CC(OC(C)C)C(=O)O)cc1COCc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
PPARA Q07869 8/20 0.45
MMP1 P03956 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 2/20 0.40
LDHA P00338 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL6507864 0.93 MMP1 (0.45) ADRB2PPARAMMP1MRGPRX4PPARG
SCHEMBL6504364 0.91 PPARG (0.40) PPARAMMP1MRGPRX4PPARGPPARD
SCHEMBL6497041 0.90 PPARA (0.50) ADRB2PPARAMMP1MRGPRX4PPARG
SCHEMBL13819358 0.88 HDAC8 (0.54) ADRB2PPARAMMP1S1PR1S1PR5
SCHEMBL6494660 0.87 LDHA (0.41) ADRB2PPARAMMP1MRGPRX4LMNA
SCHEMBL6505581 0.85 LDHA (0.45) PPARAMMP1PPARGPPARDLDHA
SCHEMBL7686808 0.84 PPARA (0.44) PPARAMMP1PPARGPPARDLDHA
SCHEMBL7683198 0.83 PPARA (0.45) PPARAMMP1LMNAHTTPPARG
SCHEMBL7683194 0.83 PPARA (0.45) PPARAMMP1LMNAHTTPPARG
SCHEMBL4331703 0.83 ADRB2 (0.41) ADRB2PPARAMMP1MRGPRX4LMNA

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