SCHEMBL8177686

SCHEMBL8177686

CC[CH]CC(=O)OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PRKCA P17252 1/20 0.32
DGKA P23743 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6892261 0.82 TSHR (0.44) TSHRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL29115888 0.82 TSHR (0.44) TSHRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL3968791 0.78 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL9729719 0.78 TSHR (0.48) TSHRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL11244901 0.78
SCHEMBL16675431 0.77 ADORA3 (0.47) TSHRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL6894863 0.77 ADORA3 (0.47) TSHRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL12415431 0.77 ADORA3 (0.47) TSHRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL1510285 0.77 TSHR (0.57) TSHRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL27676772 0.75 TSHR (0.45) TSHRALDH1A1TDP1L3MBTL1MAPT

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
US-6054413-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed