SCHEMBL20218236

SCHEMBL20218236

COc1ccc(C(OCC2CN(C(=O)CCCCCNC(=O)O)CC2O)(c2ccccc2)c2ccc(OC)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.40
MMP2 P08253 3/20 0.40
MMP14 P50281 3/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 3/20 0.40
MMP13 P45452 3/20 0.40
HDAC6 Q9UBN7 9/20 0.40
NAMPT P43490 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
SLC6A1 P30531 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A11 P48066 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34

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
SCHEMBL3423682 0.81 PREP (0.44) HDAC6NAMPTSLC6A1SLC6A11
SCHEMBL3423687 0.71 PREP (0.44) NAMPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3423684 0.70 PREP (0.46) NAMPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10177655 0.69 MMP2 (0.40) MMP9MMP2MMP14MMP3MMP7
SCHEMBL14978137 0.69 MMP2 (0.40) MMP9MMP2MMP14MMP3MMP7
SCHEMBL9908643 0.69 MMP2 (0.40) MMP9MMP2MMP14MMP3MMP7
SCHEMBL3904345 0.69 SLC6A11 (0.44) SLC6A1SLC6A11SMN1; SMN2
SCHEMBL31534289 0.68 HDAC1 (0.38) HDAC6NAMPTHDAC1SLC6A1SLC6A11
SCHEMBL10177664 0.68 HDAC6 (0.40) HDAC6NAMPTHDAC1SLC6A1SLC6A11
SCHEMBL16393116 0.68 HDAC1 (0.38) HDAC6NAMPTHDAC1SLC6A1SLC6A11

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
EP-3329924-A1 SIRNA THERAPY FOR TRANSTHYRETIN (TTR) RELATED OCULAR AMYLOIDOSIS Alnylam Pharmaceuticals, Inc. (US) 2018-06-06 EP disclosed