SCHEMBL7573626

SCHEMBL7573626

CC(C)=CC(O)COCCO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.31
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10354328 0.96 MEN1 (0.44) TSHRMAPK1ALDH1A1MEN1KMT2A
Maleic Acid SCHEMBL28406512 0.85 KMT2A (0.34) TSHRMAPK1MEN1KMT2ATHRB
Tetraethylene Glycol SCHEMBL9189750 0.76 MEN1 (0.37) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL6433801 0.75
SCHEMBL28138909 0.73
SCHEMBL6434275 0.71 TSHR (0.39) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL29046446 0.71 MEN1 (0.44) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL12542947 0.71 MEN1 (0.44) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8008322 0.70 TSHR (0.56) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6674017 0.70 MEN1 (0.48) TSHRMAPK1ALDH1A1MEN1KMT2A

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-2002051776-A2 METHOD OF PRODUCING ALK-3-ENE-1-OLS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed