SCHEMBL19007864

SCHEMBL19007864

COC(=O)/C(C#N)=C(/C)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 1/20 0.42
ESR1 P03372 5/20 0.41
ESR2 Q92731 4/20 0.41
HSD17B1 P14061 1/20 0.39
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.36
HTT P42858 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
SCHEMBL23581791 0.87 HPGD (0.48) HPGDALDH1A1SMN1; SMN2IDO1GAA
SCHEMBL5958730 0.85 HPGD (0.50) HPGDCA1CA2SMN1; SMN2LMNA
SCHEMBL77911 0.85 HPGD (0.50) HPGDCA1CA2SMN1; SMN2LMNA
SCHEMBL77912 0.85 HPGD (0.50) HPGDCA1CA2SMN1; SMN2LMNA
SCHEMBL18078309 0.85 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2IDO1LMNA
SCHEMBL18078308 0.85 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2IDO1LMNA
SCHEMBL28281679 0.83 CA12 (0.51) HPGDCA12CA1CA2CA7
SCHEMBL18073732 0.83 IDO1 (0.46) HPGDALDH1A1SMN1; SMN2IDO1
SCHEMBL18073731 0.83 IDO1 (0.46) HPGDALDH1A1SMN1; SMN2IDO1
SCHEMBL15991618 0.81 ALDH1A1 (0.47) HPGDCA12CA1CA2CA7

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
EP-2164889-B1 METHOD TO PRODUCE HIGH MOLECULAR WEIGHT POLYESTER POLYMERS WITH REDUCED ACETALDEHYDE CONTENT GRUPO PETROTEMEX SA DE CV (MX) 2017-06-21 EP disclosed