SCHEMBL7693287

SCHEMBL7693287

CCOC(C)(C(=O)O)c1ccc(OCCN2CCOc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TSHR P16473 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1B Q00975 3/20 0.39
TP53 P04637 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL5100738 0.85 MAPT (0.45) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5101243 0.80 MAPT (0.46) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5104907 0.79 PPARG (0.42) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5100830 0.78 PPARA (0.53) PPARGPPARACYSLTR2CYSLTR1
SCHEMBL5820210 0.78 PPARG (0.49) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5107504 0.76 MAPT (0.46) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5107495 0.76 MAPT (0.46) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5140361 0.76 MAPT (0.46) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5107356 0.76 PPARG (0.69) PPARGPPARA
SCHEMBL14265753 0.76 PPARG (0.69) PPARGPPARA

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