SCHEMBL28619684

SCHEMBL28619684

Fc1ccccc1-c1c(F)c(F)c(F)c(F)c1-c1ccccc1.O=PO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
DHODH Q02127 2/20 0.37
ACMSD Q8TDX5 1/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
TTR P02766 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KAT6A Q92794 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL11454320 0.87 NPC1 (0.41) HTTDHODHACMSDRAB9ALMNA
SCHEMBL3794433 0.74 DHODH (0.41) DHODHRAB9AL3MBTL1PKMMEN1
SCHEMBL7713106 0.74 LMNA (0.48) HTTDHODHRAB9ALMNANPC1
SCHEMBL28837822 0.73 USP7 (0.42) RAB9AL3MBTL1PKMMEN1KMT2A
SCHEMBL6402127 0.72 LMNA (0.46) HTTDHODHRAB9ALMNANPC1
SCHEMBL25269836 0.71 ALDH1A1 (0.46) DHODHACMSDRAB9AL3MBTL1PKM
SCHEMBL31398722 0.71 GCGR (0.37) RAB9AL3MBTL1PKMMEN1KMT2A
SCHEMBL28940462 0.70 PTPN5 (0.38) HTTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL27586211 0.70 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2MAPK1HDAC6
SCHEMBL22993074 0.70 MAPK1 (0.42) HTTACMSDRAB9ALMNAL3MBTL1

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
CN-106029689-B Beta-hairpin peptidomimetics as selective elastase inhibitors 波利弗尔股份公司 2021-09-28 CN disclosed
CN-105873939-B Beta-hairpin peptidomimetics as selective elastase inhibitors 波利弗尔股份公司 2021-08-27 CN disclosed