SCHEMBL9943907

SCHEMBL9943907

C/C(=C\CCCc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTR3A P46098 1/20 0.43

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
SCHEMBL1027806 0.90 GRIK1 (0.50) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL443151 0.86 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1574137 0.86 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4667862 0.86 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL553139 0.85 LMNA (0.51) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL553141 0.85 LMNA (0.51) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL445601 0.81 TBXAS1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL813333 0.81 TBXAS1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9943873 0.81 GRIK1 (0.49) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL9943865 0.81 KMT2A (0.49) LMNAHDAC3HDAC1HDAC2HDAC8

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
EP-2464368-A1 CATHEPSIN C INHIBITORS Glaxo Group Limited (GB) 2012-06-20 EP claimed
EP-2464368-A1 CATHEPSIN C INHIBITORS Glaxo Group Limited (GB) 2012-06-20 EP disclosed