SCHEMBL9054297

SCHEMBL9054297

CCCNC(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
MMP2 P08253 1/20 0.52
HDAC8 Q9BY41 1/20 0.50
CHRND Q07001 2/20 0.49

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
SCHEMBL25080948 0.91 CHRND (0.56) CHRND
SCHEMBL17941640 0.88 GRIA1 (0.57) CHRND
SCHEMBL17941639 0.88 GRIA1 (0.57) CHRND
SCHEMBL12201010 0.87 SLC7A5 (0.59) SLC7A5MMP2
SCHEMBL10885518 0.87 SLC7A5 (0.59) SLC7A5MMP2
SCHEMBL7377689 0.86 SLC7A5 (0.57) SLC7A5MMP2HDAC8
SCHEMBL21919162 0.86 SLC7A5 (0.57) SLC7A5MMP2HDAC8
SCHEMBL20865641 0.86 HDAC8 (0.64) SLC7A5MMP2HDAC8
Hydrochloric Acid SCHEMBL6299983 0.86 SLC7A5 (0.57) SLC7A5MMP2HDAC8
SCHEMBL2311329 0.86 ALPI (0.56) SLC7A5MMP2

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
WO-1996001865-A1 MULTIHYDROXY-FUNCTIONAL OLIGOPHENYLENE OXIDE DSM N.V. (NL) 1996-01-25 WO disclosed