SCHEMBL6560686

SCHEMBL6560686

CCCc1ccc(CCNC(=O)OC(C)(C)C)cc1OCCCSc1ccc(OC(=O)CC)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.41
PPARD Q03181 8/20 0.41
PPARA Q07869 8/20 0.41
CNR2 P34972 1/20 0.38
IDO1 P14902 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC5A1 P13866 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 3/20 0.34

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
SCHEMBL6560640 0.94 PPARG (0.42) PPARGPPARDPPARACNR2IDO1
SCHEMBL8444011 0.91 PPARG (0.42) PPARGPPARDPPARACNR2NR1H2
SCHEMBL6560130 0.85 PPARG (0.42) PPARGPPARDPPARAIDO1NR1H2
SCHEMBL6559254 0.84 PPARD (0.46) PPARGPPARDPPARACNR2NR1H2
SCHEMBL6560087 0.79 PPARG (0.43) PPARGPPARDPPARAIDO1NR1H2
SCHEMBL6939961 0.73 PPARG (0.49) PPARGPPARDPPARA
SCHEMBL8528146 0.71 CA2 (0.50) PPARGPPARAKMT2AKDM4EALDH1A1
SCHEMBL3028465 0.71 CA1 (0.46) CNR2ALDH1A1MAPTLMNA
SCHEMBL6560623 0.71 PPARD (0.47) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL8439203 0.70 PPARG (0.52) PPARGPPARDPPARANR1H2NR1H3

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
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed
US-5859051-A ACETYLPHENOL DERIVATIVES MERCK & CO., INC. (US) 1999-01-12 US disclosed