SCHEMBL8385012

SCHEMBL8385012

COc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.60
MMP1 P03956 11/20 0.60
MMP3 P08254 8/20 0.60
ADAM17 P78536 5/20 0.60
ADAM9 Q13443 4/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.60
HDAC8 Q9BY41 1/20 0.59
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
CFTR P13569 1/20 0.57
AREG P15514 3/20 0.56
PABPC1 P11940 1/20 0.56

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
SCHEMBL4118662 0.86 MEN1 (0.66) MEN1MAPTKMT2AGAAHDAC8
SCHEMBL8383957 0.86 MEN1 (0.66) MEN1MAPTKMT2AGAAHDAC8
SCHEMBL8384984 0.83 MEN1 (0.55) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL208179 0.77 MMP8 (0.80) MMP1MMP3
SCHEMBL10052772 0.77 MMP9 (0.58) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL29697336 0.77 MMP8 (0.80) MMP1MMP3
SCHEMBL3495253 0.77 MMP8 (0.80) MMP1MMP3
SCHEMBL30627068 0.77 MMP8 (0.80) MMP1MMP3
SCHEMBL10021369 0.76 MMP9 (0.78) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL22962110 0.75 HDAC8 (0.57) MMP9HDAC8

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-5866587-A HYDROXAMIDE DERIVATIVES OF FUSED PIPERIDINE DERIVATIVES ADIR ET COMPAGNIE (FR) 1999-02-02 US disclosed