SCHEMBL6977672

SCHEMBL6977672

CCOC(=O)C(Br)Cc1ccc(OCCN(CC)CC2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PSEN1 P49768 8/20 0.37
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALOX5 P09917 2/20 0.36
CYP1A2 P05177 1/20 0.36
LTA4H P09960 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
PPARA Q07869 2/20 0.34
PPARD Q03181 1/20 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
SCHEMBL6975450 0.92 PPARG (0.41) PPARGPSEN1ALOX5LTA4HL3MBTL1
SCHEMBL6979165 0.88 PPARG (0.40) PPARGPSEN1ALOX5LTA4HL3MBTL1
SCHEMBL6976820 0.85 CYP1A2 (0.40) PPARGPSEN1KCNH2MCHR1ALOX5
SCHEMBL6975335 0.85 KCNH2 (0.39) PPARGPSEN1KCNH2MCHR1ALOX5
SCHEMBL6977278 0.83 KCNH2 (0.45) PPARGPSEN1KCNH2MCHR1CYP1A2
SCHEMBL6979922 0.81 MEN1 (0.42) PPARGPSEN1ALOX5MEN1MAPT
SCHEMBL6963536 0.81 PPARG (0.46) PPARGCYP1A2MEN1MAPTKMT2A
SCHEMBL6969686 0.80 PSEN1 (0.40) PPARGPSEN1ALOX5MEN1MAPT
SCHEMBL8483767 0.80 PSEN1 (0.40) PPARGPSEN1ALOX5MEN1MAPT
SCHEMBL6974450 0.79 HPGD (0.49) PPARGMEN1KMT2A

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-0801063-B1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2003-01-15 EP disclosed
EP-0801063-A1 Thiazolidinedione derivatives having antidiabetic, hypolipidaemic antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-10-15 EP disclosed