SCHEMBL9546478

SCHEMBL9546478

C=C(C)C(=O)OCCOCCOC(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.46
THRB P10828 1/20 0.44
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESR1 P03372 4/20 0.41
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
PTPN1 P18031 1/20 0.39
HSD17B2 P37059 1/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL4640172 0.96 POLB (0.45) SERPINE1THRBPOLBKDM4EHDAC6
SCHEMBL4640914 0.91 HDAC6 (0.52) SERPINE1POLBKDM4EHDAC6HSP90AA1
SCHEMBL4639916 0.91 HDAC6 (0.49) SERPINE1POLBKDM4EHDAC6HSP90AA1
SCHEMBL4639937 0.90 HDAC6 (0.54) POLBKDM4EHDAC6HSP90AA1HSP90AB1
SCHEMBL4640499 0.90 HDAC6 (0.54) POLBKDM4EHDAC6HSP90AA1HSP90AB1
SCHEMBL4640493 0.90 HDAC6 (0.54) POLBKDM4EHDAC6HSP90AA1HSP90AB1
SCHEMBL9298125 0.89 TDP1 (0.52) POLBKDM4EHDAC6HSP90AA1HSP90AB1
SCHEMBL4074960 0.88 CA12 (0.55) SERPINE1THRBPOLBKDM4EHDAC6
SCHEMBL838089 0.84 CA12 (0.59) SERPINE1THRBPOLBKDM4EHDAC6
Ethane SCHEMBL10824994 0.83 CA12 (0.53) SERPINE1POLBKDM4EHDAC6HSP90AA1

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
JP-5163207-A None JP disclosed
JP-H05163207-A POLYMERIZABLE PHENOL DERIVATIVE FUJI PHOTO FILM CO LTD 1993-06-29 JP disclosed