SCHEMBL9174653

SCHEMBL9174653

COc1ccc(COc2c(C)n(CC(=O)O)ccc2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
NPC1 O15118 2/20 0.55
NPSR1 Q6W5P4 2/20 0.54
FFAR1 O14842 3/20 0.47
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PTGS2 P35354 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL9513558 0.87 HTT (0.73) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30669343 0.85 SMN1; SMN2 (0.60) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL28377462 0.81 HTT (0.54) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL11644757 0.81 ALDH1A1 (0.44) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL9168557 0.79 HTT (0.42) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30982970 0.79 HTT (0.51) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30982613 0.79 HTT (0.51) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL30982389 0.79 HTT (0.51) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL20382944 0.79 HTT (0.71) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL15613416 0.78 HTT (0.46) SMN1; SMN2HTTMEN1KMT2AALDH1A1

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
US-5438053-A Antibacterial agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-01 US disclosed
EP-0579221-A1 Cephem compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-01-19 EP disclosed