SCHEMBL5300153

SCHEMBL5300153

NN(CC1CCCCC1)C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
EPHX2 P34913 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 2/20 0.42
PTGES O14684 1/20 0.42
AGER Q15109 3/20 0.42
MTNR1A P48039 1/20 0.42
KMT2A Q03164 1/20 0.41
OXTR P30559 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL5305672 0.98 HDAC1 (0.51) HDAC1HDAC6EPHX2SMN1; SMN2ALOX5
SCHEMBL8389321 0.86 PDK1 (0.48) HDAC1HDAC6ALOX5KMT2AOPRM1
SCHEMBL7761513 0.79 HSD11B1 (0.54) HDAC1HDAC6EPHX2AGERMTNR1A
SCHEMBL8199326 0.76 HDAC1 (0.58) HDAC1HDAC6EPHX2SMN1; SMN2KMT2A
SCHEMBL16924162 0.76 TRPM8 (0.52) HDAC1HDAC6
SCHEMBL29172999 0.75 HDAC1 (0.57) HDAC1HDAC6OXTROPRM1OPRD1
SCHEMBL3954244 0.75 AGER (0.48) SMN1; SMN2AGERMTNR1AKMT2A
SCHEMBL25890659 0.74 HDAC1 (0.50) HDAC1HDAC6AGERMTNR1AOPRM1
SCHEMBL28181550 0.73 EPHX2 (0.40) HDAC1HDAC6EPHX2KMT2AEPHX1
SCHEMBL4429615 0.73 ALOX5 (0.52) HDAC1HDAC6ALOX5KMT2AEPHX1

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-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed