SCHEMBL7693289

SCHEMBL7693289

CC(OC(C)c1ccc(OCCN2CCOc3ccccc32)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
NOTUM Q6P988 1/20 0.38
LTA4H P09960 1/20 0.37
GRM5 P41594 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
SCHEMBL5820210 0.82 PPARG (0.49) TSHRLMNAMAPTRXFP1PPARG
SCHEMBL5101223 0.81 TSHR (0.39) TSHRLMNAMAPTRXFP1PPARG
SCHEMBL5112766 0.79 PPARG (0.49) TSHRLMNAMAPTRXFP1PPARG
SCHEMBL5100773 0.78 PPARG (0.41) TSHRLMNAMAPTRXFP1PPARG
SCHEMBL5104081 0.77 PPARG (0.55) PPARGPPARA
SCHEMBL27580644 0.77 MAPT (0.41) TSHRLMNAMAPTRXFP1PPARG
SCHEMBL5107356 0.77 PPARG (0.69) PPARGPPARA
SCHEMBL14265753 0.77 PPARG (0.69) PPARGPPARA
SCHEMBL5443755 0.76 TSHR (0.48) TSHRLMNAMAPTRXFP1PPARG
SCHEMBL6317107 0.76 MAPT (0.43) TSHRLMNAMAPTRXFP1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002030914-A1 SALTS OF BENZOTHIAZINE AND BENZOXAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-04-18 WO claimed