SCHEMBL20034754

SCHEMBL20034754

CC(C)(C)CCCCNC(=O)CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CASP2 P42575 1/20 0.35
TSHR P16473 1/20 0.34
RECQL P46063 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL19698223 0.93 GAA (0.33) HTTCASP2TSHRRECQLL3MBTL1
SCHEMBL18875813 0.93 MEN1 (0.41) HTTCASP2TSHRRECQLL3MBTL1
SCHEMBL18875840 0.92 L3MBTL1 (0.43) HTTCASP2TSHRRECQLL3MBTL1
SCHEMBL19704138 0.90 SIGMAR1 (0.37) HTTRECQLMEN1KMT2AALDH1A1
SCHEMBL20033312 0.90 ALDH1A1 (0.35) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL19704134 0.89 HTT (0.38) HTTCASP2RECQLL3MBTL1MEN1
SCHEMBL19703734 0.89 TSHR (0.33) HTTCASP2TSHRRECQLL3MBTL1
SCHEMBL19704337 0.89 TSHR (0.33) HTTCASP2TSHRRECQLL3MBTL1
SCHEMBL19698225 0.87 L3MBTL1 (0.38) HTTCASP2TSHRRECQLL3MBTL1
SCHEMBL19698236 0.85 BRAF (0.33) HTTMEN1KMT2AALDH1A1MAPT

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-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed