SCHEMBL7260974

SCHEMBL7260974

COC(=O)C(C)(C(C)(C)C)C(C)(O[SiH3])c1ccc(OCCN2CCSc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
TP53 P04637 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.41
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.37
NOTUM Q6P988 1/20 0.36
SHMT2 P34897 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL7257823 0.77 PPARA (0.47) TP53LMNA
SCHEMBL5100255 0.76 MAPT (0.51) MAPTTP53LMNAALDH1A1THRB
SCHEMBL5107482 0.71 PPARA (0.53) MAPTTP53LMNATHRBHDAC1
SCHEMBL5107727 0.70 MAPT (0.49) MAPTTP53LMNAALDH1A1THRB
SCHEMBL5101123 0.70 MAPT (0.53) MAPTTP53LMNAALDH1A1THRB
SCHEMBL5100515 0.70 MAPT (0.53) MAPTTP53LMNAALDH1A1THRB
SCHEMBL5113230 0.70 MAPT (0.55) MAPTTP53LMNATHRBHDAC1
SCHEMBL6912068 0.70 MAPT (0.52) MAPTTP53LMNAALDH1A1THRB
SCHEMBL7252494 0.70 PPARA (0.47) TP53LMNA
SCHEMBL5100503 0.70 LMNA (0.54) MAPTTP53LMNAPOLB

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-2003099800-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BICYCLIC ANTIDIABETIC AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2003-12-04 WO disclosed