SCHEMBL11041822

SCHEMBL11041822

CC(=O)OC1/C=C(/C)CC/C=C(/C)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
PTPN1 P18031 3/20 0.37
PTPN2 P17706 1/20 0.37
PTGS1 P23219 1/20 0.36
TAS2R46 P59540 6/20 0.34
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TERT O14746 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL11041827 1.00 MET (0.42) METFNTAFNTBPGGT1BPTPN1
SCHEMBL13677475 0.76 CYP19A1 (0.40) TAS2R46CYP19A1MEN1KMT2ATDP1
SCHEMBL11583404 0.73 CYP19A1 (0.39) TAS2R46CYP19A1MEN1KMT2AALOX15
SCHEMBL3672117 0.71 FNTA (0.39) METFNTAFNTBPGGT1BPTPN1
SCHEMBL3672123 0.71 FNTA (0.39) METFNTAFNTBPGGT1BPTPN1
SCHEMBL25236376 0.70 POLB (0.36) TAS2R46CYP19A1ALOX15TSHR
SCHEMBL3672951 0.70 TAS2R46 (0.41) METFNTAFNTBPGGT1BTAS2R46
SCHEMBL3672947 0.70 TAS2R46 (0.41) METFNTAFNTBPGGT1BTAS2R46
SCHEMBL19723785 0.70 POLB (0.36) TAS2R46CYP19A1ALOX15TSHR
SCHEMBL11038022 0.70 MET (0.42) METPTPN1PTPN2TAS2R46MEN1

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-1984000954-A1 A METHOD FOR THE PREPARATION OF A SECONDARY ALLYLIC ESTER OR ALCOHOL BAECKSTROEM PETER 1984-03-15 WO disclosed