SCHEMBL6938837

SCHEMBL6938837

CCOC(=O)Cc1ccc(SCCCBr)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.43
PPARD Q03181 8/20 0.43
PPARA Q07869 8/20 0.43
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 2/20 0.40
LDHA P00338 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL5209075 0.88 ALDH1A1 (0.45) PPARGPPARDPPARACYP4F2CYP4A11
SCHEMBL2647407 0.80 MAPT (0.46) CYP4F2CYP4A11MAPTLDHAL3MBTL1
SCHEMBL31441301 0.75 TSHR (0.60) CYP4F2CYP4A11MAPTL3MBTL1ALOX15
SCHEMBL2646637 0.75 TSHR (0.60) CYP4F2CYP4A11MAPTL3MBTL1ALOX15
SCHEMBL6560619 0.75 NPC1 (0.41) PPARGPPARDPPARAHTTSMN1; SMN2
SCHEMBL7907633 0.75 ALDH1A1 (0.48) PPARGPPARDPPARACYP4F2CYP4A11
SCHEMBL13742168 0.75 MAPT (0.41) CYP4F2CYP4A11MAPTLDHAL3MBTL1
SCHEMBL18524140 0.74 MAPT (0.48) CYP4F2CYP4A11MAPTLDHAL3MBTL1
SCHEMBL7400502 0.73 CSNK2A1 (0.46) PPARGCYP4F2CYP4A11MAPTL3MBTL1
SCHEMBL13742649 0.73 PDE7A (0.51) MAPTLDHAL3MBTL1ALOX15CRHBP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed