SCHEMBL18922945

SCHEMBL18922945

C=C(C)C(=O)ONC(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 2/20 0.42
APAF1 O14727 1/20 0.42
HPGD P15428 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
ELANE P08246 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL28010037 0.82 HDAC6 (0.49) HDAC6TDP1HSD17B10APAF1HPGD
SCHEMBL27821681 0.82 HDAC6 (0.49) HDAC6TDP1HSD17B10APAF1HPGD
SCHEMBL27882319 0.81 HDAC6 (0.47) HDAC6TDP1HSD17B10APAF1HPGD
SCHEMBL27845616 0.79 HDAC6 (0.46) HDAC6TDP1HSD17B10APAF1HPGD
SCHEMBL7511468 0.77 HDAC3 (0.49) HDAC6HSD17B10APAF1HPGDHDAC3
SCHEMBL26461278 0.76 TSHR (0.52) HSD17B10APAF1KMT2AMEN1ALDH1A1
SCHEMBL28306321 0.75 HPGD (0.43) HDAC6HSD17B10APAF1HPGDKMT2A
SCHEMBL28418726 0.74 ALDH1A1 (0.46) HDAC6HSD17B10APAF1HPGDHDAC3
SCHEMBL28372432 0.74 KMT2A (0.43) HDAC6TDP1APAF1HPGDGAA
SCHEMBL1629333 0.74 KDM4E (0.55) HDAC6TDP1HSD17B10HPGDKMT2A

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-9671693-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed